Geometry & MOs

Info

ID:	321556
PubChem CID:	126666601
Reduced:	N6H14C17 (1)
Stoich.:	A6B14C17 (1)
Weight, g/mol:	258.025227
ΔH_f, kcal/mol:	147.24
Dipole, Da:	3.4
IP(EA), eV:	-9.16(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-6-(trifluoromethyl)-1H-quinolin-4-one

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=C(C=C2)C#N)C3=C1N=C(N3C)N4C=CC=N4

DOS

IR

Vibrations