Geometry & MOs

Info

ID:	241552
PubChem CID:	96023683
Reduced:	ClFNOC11H13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	229.06697
ΔH_f, kcal/mol:	-85.22
Dipole, Da:	3.56
IP(EA), eV:	-9.03(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chloroethyl)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations