Geometry & MOs

Info

ID:	241303
PubChem CID:	96022597
Reduced:	FNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	271.137242
ΔH_f, kcal/mol:	-128.39
Dipole, Da:	3.91
IP(EA), eV:	-8.89(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC(C)([C@H]1C2=C(CCN1)C=CC(=C2F)O)O

DOS

IR

Vibrations