Geometry & MOs

Info

ID:	442148
PubChem CID:	135250110
Reduced:	N2O2H30C41 (1)
Stoich.:	A2B2C30D41 (1)
Weight, g/mol:	796.425346
ΔH_f, kcal/mol:	96.12
Dipole, Da:	2.11
IP(EA), eV:	-8.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4,4,5,5-pentamethylimidazol-2-yl)-5-[3-[5-(1,4,4,5,5-pentamethylimidazol-2-yl)pyridin-3-yl]spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl]pyridine

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

C1COC(=N1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=C(C4C6=CC=CC=C6)C=C(C7=CC=CC=C75)C8=CC=C(C=C8)C9=NCCO9

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

C1COC(=N1)C2=CC=C(C=C2)C3=CC4=C(C=C3)C5=C(C4C6=CC=CC=C6)C=C(C7=CC=CC=C75)C8=CC=C(C=C8)C9=NCCO9

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):