Geometry & MOs

Info

ID:	144800
PubChem CID:	53415330
Reduced:	FNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	411.089384
ΔH_f, kcal/mol:	-63.16
Dipole, Da:	4.17
IP(EA), eV:	-9.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(3,5-difluorophenyl)methyl]-4-oxo-6-(trifluoromethyl)quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)C1=CC(=CC=C1)F)NC

DOS

IR

Vibrations