Geometry & MOs

Info

ID:	167853
PubChem CID:	74886444
Reduced:	O4N5C9H15 (1)
Stoich.:	A4B5C9D15 (1)
Weight, g/mol:	271.128054
ΔH_f, kcal/mol:	-134.7
Dipole, Da:	5.58
IP(EA), eV:	-9.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3,5-dioxo-1,2,4-triazinan-6-yl)piperazin-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)O)C2C(=O)NC(=O)NN2

DOS

IR

Vibrations