Geometry & MOs

Info

ID:	241543
PubChem CID:	96023602
Reduced:	FNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	285.152892
ΔH_f, kcal/mol:	-111.29
Dipole, Da:	2.55
IP(EA), eV:	-8.87(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations