Geometry & MOs

Info

ID:	241360
PubChem CID:	96023288
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-85.1
Dipole, Da:	1.87
IP(EA), eV:	-8.45(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-(3-methoxy-2-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OC)[C@@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations