Geometry & MOs

Info

ID:	143426
PubChem CID:	53207429
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	433.247775
ΔH_f, kcal/mol:	-5.12
Dipole, Da:	1.95
IP(EA), eV:	-8.59(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-ethyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C(C)N2C3=CC=CC=C3C4=C2C(=O)N(N=C4)C

DOS

IR

Vibrations