Geometry & MOs

Info

ID:	241600
PubChem CID:	96023804
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-86.39
Dipole, Da:	4.42
IP(EA), eV:	-8.37(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-1-(5-methoxy-2-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC)[C@@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations