Geometry & MOs

Info

ID:	241319
PubChem CID:	96022707
Reduced:	NF2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-128.21
Dipole, Da:	1.61
IP(EA), eV:	-9.09(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-[(1R)-2-hydroxy-1-phenylethyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)COC3=CC=C(C=C3)F

DOS

IR

Vibrations