Geometry & MOs

Info

ID:	242095
PubChem CID:	96026047
Reduced:	FNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	281.106336
ΔH_f, kcal/mol:	-64.09
Dipole, Da:	3.79
IP(EA), eV:	-8.55(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=C2CCN[C@@H](C2=C(C=C1)C)CC3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations