Geometry & MOs

Info

ID:	320479
PubChem CID:	126661321
Reduced:	NOCl3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	391.119541
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	5.43
IP(EA), eV:	-9.45(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)/C(=C(\C)/C1=CC(=CC(=C1C)C2=C(C=C(C=C2)Cl)Cl)Cl)/C

DOS

IR

Vibrations