Geometry & MOs

Info

ID:	167848
PubChem CID:	74886439
Reduced:	N2O2C5H5 (2)
Stoich.:	A2B2C5D5 (2)
Weight, g/mol:	250.070205
ΔH_f, kcal/mol:	-109.89
Dipole, Da:	7.82
IP(EA), eV:	-9.49(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)NC2C(=O)NC(=O)NN2

DOS

IR

Vibrations