Geometry & MOs

Info

ID:	241505
PubChem CID:	96023516
Reduced:	FON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	258.116841
ΔH_f, kcal/mol:	-37.59
Dipole, Da:	4.82
IP(EA), eV:	-9.0(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)[C@@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations