Geometry & MOs

Info

ID:	241352
PubChem CID:	96023277
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	-32.45
Dipole, Da:	3.49
IP(EA), eV:	-8.7(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-(1-methylimidazol-4-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CN1C=C(N=C1)[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations