Geometry & MOs

Info

ID:	241364
PubChem CID:	96023293
Reduced:	FNOC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	297.152892
ΔH_f, kcal/mol:	-52.89
Dipole, Da:	3.65
IP(EA), eV:	-8.82(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-1-[(1S)-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=C(CCN3)C=CC(=C4F)O

DOS

IR

Vibrations