Geometry & MOs

Info

ID:	72251
PubChem CID:	48415971
Reduced:	O3N6H20C21 (1)
Stoich.:	A3B6C20D21 (1)
Weight, g/mol:	417.18009
ΔH_f, kcal/mol:	70.73
Dipole, Da:	5.93
IP(EA), eV:	-8.98(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations