Geometry & MOs

Info

ID:	241337
PubChem CID:	96023225
Reduced:	NF2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	285.152892
ΔH_f, kcal/mol:	-127.92
Dipole, Da:	2.29
IP(EA), eV:	-8.72(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations