Geometry & MOs

Info

ID:	72088
PubChem CID:	48415799
Reduced:	ClN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-61.38
Dipole, Da:	5.12
IP(EA), eV:	-8.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-oxo-4-(4-propoxyphenyl)butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations