Geometry & MOs

Info

ID:	241525
PubChem CID:	96023556
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	250.148141
ΔH_f, kcal/mol:	-69.69
Dipole, Da:	4.36
IP(EA), eV:	-8.8(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1[C@@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations