Geometry & MOs

Info

ID:	241598
PubChem CID:	96023799
Reduced:	NO2F3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	289.12782
ΔH_f, kcal/mol:	-175.16
Dipole, Da:	3.04
IP(EA), eV:	-9.03(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-[2-(2-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)C3=C(C(=C(C=C3)O)F)F

DOS

IR

Vibrations