Geometry & MOs

Info

ID:	264852
PubChem CID:	103497872
Reduced:	N3O4C13H23 (1)
Stoich.:	A3B4C13D23 (1)
Weight, g/mol:	272.137222
ΔH_f, kcal/mol:	-193.36
Dipole, Da:	5.02
IP(EA), eV:	-9.41(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxycarbonylpiperazin-1-yl)-2,3-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C(C)C(=O)O)C(=O)N1CCCN(CC1)CC(=O)N

DOS

IR

Vibrations