Geometry & MOs

Info

ID:	320467
PubChem CID:	126661307
Reduced:	FOCl2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	325.12782
ΔH_f, kcal/mol:	-71.64
Dipole, Da:	3.16
IP(EA), eV:	-9.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-6-(4-fluorophenyl)-10-methyl-3,4,4a,5-tetrahydro-2H-benzo[g]isoquinolin-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1/C(=C(\C)/C(=O)C)/C)F)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations