Geometry & MOs

Info

ID:	167846
PubChem CID:	74886437
Reduced:	N2O2C4H7 (2)
Stoich.:	A2B2C4D7 (2)
Weight, g/mol:	216.085855
ΔH_f, kcal/mol:	-148.31
Dipole, Da:	4.17
IP(EA), eV:	-9.63(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCC(=O)O)C1C(=O)NC(=O)NN1

DOS

IR

Vibrations