Geometry & MOs

Info

ID:	183205
PubChem CID:	76991172
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	279.060368
ΔH_f, kcal/mol:	-65.24
Dipole, Da:	2.65
IP(EA), eV:	-9.12(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dioxo-1,3-diazinane-5-carbonyl)amino]pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NN2)C(=O)NC3=NC=CN=C3C(=O)O

DOS

IR

Vibrations