Geometry & MOs

Info

ID:	71824
PubChem CID:	48415509
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	-23.39
Dipole, Da:	4.88
IP(EA), eV:	-8.7(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CN1C(=O)CCC(=N1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations