Geometry & MOs

Info

ID:	72002
PubChem CID:	48415704
Reduced:	ON3H23C24 (1)
Stoich.:	AB3C23D24 (1)
Weight, g/mol:	357.124405
ΔH_f, kcal/mol:	44.96
Dipole, Da:	4.27
IP(EA), eV:	-8.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-chlorophenoxy)-N-methylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations