Geometry & MOs

Info

ID:	241380
PubChem CID:	96023320
Reduced:	OF2N2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	262.091769
ΔH_f, kcal/mol:	-73.21
Dipole, Da:	5.67
IP(EA), eV:	-9.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations