Geometry & MOs

Info

ID:	309055
PubChem CID:	126535650
Reduced:	FN10H25C27 (1)
Stoich.:	AB10C25D27 (1)
Weight, g/mol:	490.197805
ΔH_f, kcal/mol:	183.0
Dipole, Da:	2.66
IP(EA), eV:	-8.45(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[5-[(3Z)-3-(7-pyridin-3-ylimidazo[4,5-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]acetamide

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

CN(C)CCNC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)N)NN4)/N=C23)F

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

CN(C)CCNC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)N)NN4)/N=C23)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):