Geometry & MOs

Info

ID:	242105
PubChem CID:	96026287
Reduced:	FNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	251.095771
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	0.39
IP(EA), eV:	-8.84(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(1S)-8-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)OC)C=C1)F

DOS

IR

Vibrations