Geometry & MOs

Info

ID:	241391
PubChem CID:	96023335
Reduced:	ClOF2N2H11C14 (1)
Stoich.:	ABC2D2E11F14 (1)
Weight, g/mol:	274.111756
ΔH_f, kcal/mol:	-82.75
Dipole, Da:	2.22
IP(EA), eV:	-9.19(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-(2-methoxypyridin-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations