Geometry & MOs

Info

ID:	71884
PubChem CID:	48415574
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-21.6
Dipole, Da:	2.39
IP(EA), eV:	-8.95(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations