Geometry & MOs

Info

ID:	241307
PubChem CID:	96022619
Reduced:	FON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	273.116507
ΔH_f, kcal/mol:	-68.05
Dipole, Da:	5.56
IP(EA), eV:	-8.69(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-(3-hydroxy-4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations