Geometry & MOs

Info

ID:	29179
PubChem CID:	832197
Reduced:	N2O2C6H11 (2)
Stoich.:	A2B2C6D11 (2)
Weight, g/mol:	228.085855
ΔH_f, kcal/mol:	-190.96
Dipole, Da:	6.59
IP(EA), eV:	-9.92(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1[C@H]2[C@H](N(C(=O)N2CO)CCC)N(C1=O)CO

DOS

IR

Vibrations