Geometry & MOs

Info

ID:	241537
PubChem CID:	96023572
Reduced:	FO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	277.184193
ΔH_f, kcal/mol:	-83.22
Dipole, Da:	7.22
IP(EA), eV:	-9.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-cyclohexylethyl)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CC(=O)NN=C1[C@@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations