Geometry & MOs

Info

ID:	133569
PubChem CID:	51553967
Reduced:	SN2O4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	421.168936
ΔH_f, kcal/mol:	-162.8
Dipole, Da:	8.7
IP(EA), eV:	-9.0(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations