Geometry & MOs

Info

ID:	242141
PubChem CID:	96026518
Reduced:	FON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-30.66
Dipole, Da:	6.48
IP(EA), eV:	-8.57(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-6-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methylphenol

Drug info:

PubChemData

Smile

CN1C=C(N=C1)[C@H]2C3=CC(=C(C=C3CCN2)F)OC

DOS

IR

Vibrations