Geometry & MOs

Info

ID:	58183
PubChem CID:	24434740
Reduced:	O2N4C17H18 (1)
Stoich.:	A2B4C17D18 (1)
Weight, g/mol:	324.12224
ΔH_f, kcal/mol:	8.41
Dipole, Da:	7.39
IP(EA), eV:	-8.75(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(E)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-(2-methylbenzimidazol-1-yl)acetohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C(=N/NC(=O)CN2C(=NC3=CC=CC=C32)C)/C

DOS

IR

Vibrations