Geometry & MOs

Info

ID:	241559
PubChem CID:	96023698
Reduced:	FNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	221.121592
ΔH_f, kcal/mol:	-66.62
Dipole, Da:	1.91
IP(EA), eV:	-8.82(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-(2-methylprop-1-enyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations