Geometry & MOs

Info

ID:	193387
PubChem CID:	78386875
Reduced:	IO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	318.07529
ΔH_f, kcal/mol:	93.63
Dipole, Da:	12.24
IP(EA), eV:	-8.45(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methylidene-1H-benzimidazol-2-ylidene)-3-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)propanenitrile

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C2NC3C=CC=CC3=N2)C#N)C=C(C1=O)I

DOS

IR

Vibrations