Geometry & MOs

Info

ID:	162575
PubChem CID:	57395118
Reduced:	ClN2O3H21C27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	271.059306
ΔH_f, kcal/mol:	-1.43
Dipole, Da:	6.68
IP(EA), eV:	-8.4(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-4-hydroxy-6-(5-nitro-1,3-dihydrobenzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C(C2=O)C3=NC=C(O3)CC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations