Geometry & MOs

Info

ID:	167863
PubChem CID:	74887000
Reduced:	FN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	249.021305
ΔH_f, kcal/mol:	-79.87
Dipole, Da:	2.63
IP(EA), eV:	-8.87(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-difluoro-2-(trifluoromethyl)-4aH-quinolin-4-one

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)C(=NO)N)F

DOS

IR

Vibrations