Geometry & MOs

Info

ID:	149652
PubChem CID:	53789326
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	296.002913
ΔH_f, kcal/mol:	-36.44
Dipole, Da:	5.9
IP(EA), eV:	-8.15(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-3,6,8-trinitro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CNC1=C(C(=C(O1)C2=CN=CC=C2)O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations