Geometry & MOs

Info

ID:	241551
PubChem CID:	96023675
Reduced:	FOSN3C14H16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	229.06697
ΔH_f, kcal/mol:	-24.54
Dipole, Da:	4.7
IP(EA), eV:	-9.13(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chloroethyl)-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CCCC1=C(SN=N1)[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations