Geometry & MOs

Info

ID:	242125
PubChem CID:	96026406
Reduced:	ClFON2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	289.093663
ΔH_f, kcal/mol:	-37.59
Dipole, Da:	1.8
IP(EA), eV:	-8.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-6-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]benzenethiol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations