Geometry & MOs

Info

ID:	241517
PubChem CID:	96023538
Reduced:	FON2H15C18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	206.085541
ΔH_f, kcal/mol:	5.66
Dipole, Da:	3.22
IP(EA), eV:	-9.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)/C(=C/C3=CC=CC=C3)/C#N

DOS

IR

Vibrations