Geometry & MOs

Info

ID:	167847
PubChem CID:	74886438
Reduced:	N4O4C7H12 (1)
Stoich.:	A4B4C7D12 (1)
Weight, g/mol:	250.070205
ΔH_f, kcal/mol:	-155.06
Dipole, Da:	4.13
IP(EA), eV:	-9.89(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)NC1C(=O)NC(=O)NN1

DOS

IR

Vibrations