Geometry & MOs

Info

ID:	242139
PubChem CID:	96026494
Reduced:	FON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	264.073262
ΔH_f, kcal/mol:	-72.98
Dipole, Da:	2.77
IP(EA), eV:	-8.67(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@H](C2=C1)[C@@H]3CCCNC3)F

DOS

IR

Vibrations