Geometry & MOs

Info

ID:	64325
PubChem CID:	29199107
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	396.159769
ΔH_f, kcal/mol:	-42.67
Dipole, Da:	5.4
IP(EA), eV:	-9.08(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methylbenzimidazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C(=NC2=C1C=CC(=C2)C(=O)NNC(=O)C3=CC=CC(=C3)COC)C

DOS

IR

Vibrations