Geometry & MOs

Info

ID:	23805
PubChem CID:	606125
Reduced:	BrFNO3C19H19 (1)
Stoich.:	ABCD3E19F19 (1)
Weight, g/mol:	407.05323
ΔH_f, kcal/mol:	-125.08
Dipole, Da:	2.64
IP(EA), eV:	-8.37(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC(=C(C=C2C1C3=C(C=CC(=C3)Br)F)OC)OC

DOS

IR

Vibrations