Geometry & MOs

Info

ID:	241589
PubChem CID:	96023765
Reduced:	FN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	291.08262
ΔH_f, kcal/mol:	-126.74
Dipole, Da:	6.6
IP(EA), eV:	-8.83(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-chloro-5-methylphenyl)-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1C2=CC(=C(C=C2CCN1)F)O)NC(=O)C

DOS

IR

Vibrations