Geometry & MOs

Info

ID:	228145
PubChem CID:	87563525
Reduced:	O2N3H13C17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	393.135192
ΔH_f, kcal/mol:	100.56
Dipole, Da:	8.51
IP(EA), eV:	-6.69(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-acetyl-6-(4-fluorophenyl)-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(C=CN2)C(=O)N=O)C=CC1=C3C=CNC=C3

DOS

IR

Vibrations