Geometry & MOs

Info

ID:	241367
PubChem CID:	96023298
Reduced:	FNOC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	297.152892
ΔH_f, kcal/mol:	-57.26
Dipole, Da:	4.06
IP(EA), eV:	-8.78(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1C[C@@H](C2=CC=CC=C2C1)[C@H]3C4=CC(=C(C=C4CCN3)F)O

DOS

IR

Vibrations