Geometry & MOs

Info

ID:	242115
PubChem CID:	96026337
Reduced:	ClFON2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	274.111756
ΔH_f, kcal/mol:	-35.72
Dipole, Da:	2.03
IP(EA), eV:	-8.8(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@@H](C2=C1)C3=NC(=CC=C3)Cl)F

DOS

IR

Vibrations