Geometry & MOs

Info

ID:	242116
PubChem CID:	96026340
Reduced:	FN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	274.111756
ΔH_f, kcal/mol:	-66.45
Dipole, Da:	4.08
IP(EA), eV:	-8.9(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-6-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCN[C@@H]2C3=CC(=CN=C3)O)C=C1)F

DOS

IR

Vibrations