Geometry & MOs

Info

ID:	27659
PubChem CID:	822875
Reduced:	OSN2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	30.62
Dipole, Da:	4.84
IP(EA), eV:	-9.03(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations