Geometry & MOs

Info

ID:	242096
PubChem CID:	96026235
Reduced:	FNO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	281.106336
ΔH_f, kcal/mol:	-188.05
Dipole, Da:	6.08
IP(EA), eV:	-8.96(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-6-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations