Geometry & MOs

Info

ID:	187733
PubChem CID:	77616575
Reduced:	OF2N2H10C14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	388.096554
ΔH_f, kcal/mol:	-33.16
Dipole, Da:	3.57
IP(EA), eV:	-10.2(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-6-fluoro-4-oxo-8-[[4-(trifluoromethyl)phenyl]methyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC1CC2=C3C(=CC(=C2F)F)C(=O)C(C=N3)C#N

DOS

IR

Vibrations