Geometry & MOs

Info

ID:	241590
PubChem CID:	96023767
Reduced:	ClFNOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	291.08262
ΔH_f, kcal/mol:	-60.41
Dipole, Da:	4.95
IP(EA), eV:	-8.96(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chloro-5-methylphenyl)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations