Geometry & MOs

Info

ID:	375231
PubChem CID:	131480973
Reduced:	FN2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	219.067112
ΔH_f, kcal/mol:	-12.1
Dipole, Da:	3.72
IP(EA), eV:	-9.33(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-fluoro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CNCCC1/C=C(/C#N)\F

DOS

IR

Vibrations