Geometry & MOs

Info

ID:	241338
PubChem CID:	96023233
Reduced:	FNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	285.152892
ΔH_f, kcal/mol:	-59.12
Dipole, Da:	4.16
IP(EA), eV:	-8.81(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-[(1S)-1-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C)[C@@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations