Geometry & MOs

Info

ID:	192693
PubChem CID:	78302672
Reduced:	O5N6C24H29 (1)
Stoich.:	A5B6C24D29 (1)
Weight, g/mol:	238.074228
ΔH_f, kcal/mol:	-146.02
Dipole, Da:	5.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.869200
Charge, e:	0

Chem-info

IUPAC name:

6-(1-oxidopyridin-1-ium-3-yl)-6H-quinolin-2-one

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)C)CC(=O)N3CC4(CCN(CC4)CCC5=CC=CC=C5)OC3=O

DOS

IR

Vibrations