Geometry & MOs

Info

ID:	29180
PubChem CID:	832199
Reduced:	NOC2H3 (4)
Stoich.:	ABC2D3 (4)
Weight, g/mol:	228.085855
ΔH_f, kcal/mol:	-172.17
Dipole, Da:	6.53
IP(EA), eV:	-10.6(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3aS,6aR)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]butanoic acid

Drug info:

PubChemData

Smile

C(CC(=O)O)CN1[C@@H]2[C@H](NC(=O)N2)NC1=O

DOS

IR

Vibrations