Geometry & MOs

Info

ID:	64326
PubChem CID:	29199114
Reduced:	FO3N4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	410.195405
ΔH_f, kcal/mol:	-71.89
Dipole, Da:	3.39
IP(EA), eV:	-9.0(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2,5-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)/C=C/C3=CC(=C(C=C3)OC)F)C

DOS

IR

Vibrations