Geometry & MOs

Info

ID:	71993
PubChem CID:	48415695
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	360.158626
ΔH_f, kcal/mol:	7.58
Dipole, Da:	6.28
IP(EA), eV:	-8.73(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations