Geometry & MOs

Info

ID:	241335
PubChem CID:	96022989
Reduced:	ClFON2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	291.107085
ΔH_f, kcal/mol:	-38.2
Dipole, Da:	0.15
IP(EA), eV:	-8.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-(2-fluoro-6-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=CC(=C2F)O)C3=NC(=CC=C3)Cl

DOS

IR

Vibrations