Geometry & MOs

Info

ID:	185455
PubChem CID:	77302006
Reduced:	ON3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	190.037842
ΔH_f, kcal/mol:	6.05
Dipole, Da:	3.36
IP(EA), eV:	-8.1(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-nitro-4aH-quinolin-7-one

Drug info:

PubChemData

Smile

CC1C(C2CCN1CC2)NC3=CN=C(C=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations