Geometry & MOs

Info

ID:	175221
PubChem CID:	75868282
Reduced:	SN4O4H19C22 (1)
Stoich.:	AB4C4D19E22 (1)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	-28.67
Dipole, Da:	5.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.074949
Charge, e:	0

Chem-info

IUPAC name:

1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N=C(C2=CC=CC=C2NS(=O)(=O)C3C=CC4=NC(=O)NC4=C3)[O-])C

DOS

IR

Vibrations