Geometry & MOs

Info

ID:	72037
PubChem CID:	48415741
Reduced:	ClO2N3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	321.184112
ΔH_f, kcal/mol:	-35.69
Dipole, Da:	5.61
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,2,4-trimethylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(C=CC(=C3)Cl)O

DOS

IR

Vibrations