Geometry & MOs

Info

ID:	182356
PubChem CID:	76880025
Reduced:	ClN2O2C7H7 (1)
Stoich.:	AB2C2D7E7 (1)
Weight, g/mol:	363.9978
ΔH_f, kcal/mol:	-31.89
Dipole, Da:	2.57
IP(EA), eV:	-10.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(6-bromo-3-propan-2-yl-1H-benzimidazol-2-ylidene)-4-chlorocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=C(N(N=C1)CC=CCl)C(=O)O

DOS

IR

Vibrations