Geometry & MOs

Info

ID:	193527
PubChem CID:	78404030
Reduced:	O3N5C10H13 (1)
Stoich.:	A3B5C10D13 (1)
Weight, g/mol:	464.89737
ΔH_f, kcal/mol:	-38.89
Dipole, Da:	8.66
IP(EA), eV:	-9.04(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,7a-dihydrobenzimidazol-2-ylidene)-3-(3-bromo-5-iodo-6-oxocyclohexa-2,4-dien-1-ylidene)propanenitrile

Drug info:

PubChemData

Smile

C1C(=O)NC(NN1)NNC=C2C=CC(=O)C=C2O

DOS

IR

Vibrations