Geometry & MOs

Info

ID:	241323
PubChem CID:	96022736
Reduced:	FNOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	283.137242
ΔH_f, kcal/mol:	-33.83
Dipole, Da:	3.89
IP(EA), eV:	-8.99(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-[(E)-1-phenylprop-1-en-2-yl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/[C@@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations