Geometry & MOs

Info

ID:	241519
PubChem CID:	96023541
Reduced:	FON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	206.085541
ΔH_f, kcal/mol:	-40.66
Dipole, Da:	5.87
IP(EA), eV:	-9.19(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-6-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=CC(=C2F)O)CC#N

DOS

IR

Vibrations