Geometry & MOs

Info

ID:	24772
PubChem CID:	613319
Reduced:	NF3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	365.123878
ΔH_f, kcal/mol:	-261.93
Dipole, Da:	9.98
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)C(F)(F)F)C(=O)OC

DOS

IR

Vibrations