Geometry & MOs

Info

ID:	242106
PubChem CID:	96026291
Reduced:	FNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	251.095771
ΔH_f, kcal/mol:	-129.6
Dipole, Da:	3.29
IP(EA), eV:	-9.0(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(1R)-6-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCN[C@H]2/C=C/C(=O)O)C=C1)F

DOS

IR

Vibrations