Geometry & MOs

Info

ID:	167852
PubChem CID:	74886443
Reduced:	N4O4C9H14 (1)
Stoich.:	A4B4C9D14 (1)
Weight, g/mol:	257.112404
ΔH_f, kcal/mol:	-150.27
Dipole, Da:	4.03
IP(EA), eV:	-9.75(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)O)C2C(=O)NC(=O)NN2

DOS

IR

Vibrations