Geometry & MOs

Info

ID:	71912
PubChem CID:	48415610
Reduced:	ClO2N3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	8.36
Dipole, Da:	6.92
IP(EA), eV:	-9.07(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-phenylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC=C(O3)C4=CC=CC=C4Cl

DOS

IR

Vibrations