Geometry & MOs

Info

ID:	241564
PubChem CID:	96023721
Reduced:	FNOSC11H14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	287.0321
ΔH_f, kcal/mol:	-76.56
Dipole, Da:	1.97
IP(EA), eV:	-8.94(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S)-1-bromopropyl]-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)CCS

DOS

IR

Vibrations