Geometry & MOs

Info

ID:	241602
PubChem CID:	96023807
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	291.08262
ΔH_f, kcal/mol:	-91.59
Dipole, Da:	2.54
IP(EA), eV:	-8.73(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chloro-4-methylphenyl)-8-fluoro-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