Geometry & MOs

Info

ID:	71918
PubChem CID:	48415616
Reduced:	ClN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-52.37
Dipole, Da:	6.96
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

DOS

IR

Vibrations