Geometry & MOs

Info

ID:	241524
PubChem CID:	96023551
Reduced:	FN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	250.148141
ΔH_f, kcal/mol:	-125.25
Dipole, Da:	5.9
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C[C@H](CC1=O)[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations