Geometry & MOs

Info

ID:	136746
PubChem CID:	52093563
Reduced:	N3O3H13C16 (1)
Stoich.:	A3B3C13D16 (1)
Weight, g/mol:	333.072511
ΔH_f, kcal/mol:	28.79
Dipole, Da:	8.56
IP(EA), eV:	-8.86(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-pyridin-2-yl-7-(trifluoromethyl)-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations