Geometry & MOs

Info

ID:	241561
PubChem CID:	96023703
Reduced:	FON2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	223.137242
ΔH_f, kcal/mol:	-67.34
Dipole, Da:	3.2
IP(EA), eV:	-8.91(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-tert-butyl-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CNC[C@H]1C2=C(CCN1)C=CC(=C2F)O

DOS

IR

Vibrations