Geometry & MOs

Info

ID:	241389
PubChem CID:	96023332
Reduced:	ClOF2N2H11C14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	296.052797
ΔH_f, kcal/mol:	-79.42
Dipole, Da:	6.92
IP(EA), eV:	-9.21(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chloro-3-fluoropyridin-4-yl)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations