Geometry & MOs

Info

ID:	242108
PubChem CID:	96026306
Reduced:	FON5C12H14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	249.080121
ΔH_f, kcal/mol:	17.12
Dipole, Da:	4.26
IP(EA), eV:	-9.11(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]prop-2-ynoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@H](C2=C1)CN3C=NN=N3)F

DOS

IR

Vibrations