Geometry & MOs

Info

ID:	241195
PubChem CID:	96021867
Reduced:	FNH7C9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	269.08635
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	2.98
IP(EA), eV:	-9.14(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-6,8-difluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=C(C=C2F)F)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations