Geometry & MOs

Info

ID:	241388
PubChem CID:	96023331
Reduced:	FN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	296.052797
ΔH_f, kcal/mol:	-87.91
Dipole, Da:	9.29
IP(EA), eV:	-8.63(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1)[C@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations