Geometry & MOs

Info

ID:	241601
PubChem CID:	96023806
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-88.88
Dipole, Da:	3.47
IP(EA), eV:	-8.62(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-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=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations