Geometry & MOs

Info

ID:	232208
PubChem CID:	87575714
Reduced:	O2H26C31 (1)
Stoich.:	A2B26C31 (1)
Weight, g/mol:	977.450078
ΔH_f, kcal/mol:	30.34
Dipole, Da:	2.8
IP(EA), eV:	-8.84(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-4-yl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone;[5-[4-(dimethylamino)piperidin-1-yl]-4-fluoro-1H-benzimidazol-2-yl]-(2-isoquinolin-4-ylpyridin-4-yl)methanone

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)C2=C(C(=CC2C3=CC=C(C=C3)CO)C4=CC=C(C=C4)CO)C5=CC=CC=C5

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)C2=C(C(=CC2C3=CC=C(C=C3)CO)C4=CC=C(C=C4)CO)C5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):