Geometry & MOs

Info

ID:	29190
PubChem CID:	832250
Reduced:	N2O3C6H9 (2)
Stoich.:	A2B3C6D9 (2)
Weight, g/mol:	228.085855
ΔH_f, kcal/mol:	-261.3
Dipole, Da:	4.14
IP(EA), eV:	-9.96(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OCN1[C@@H]2[C@@H](N(C1=O)C)N(C(=O)N2C)COC(=O)C

DOS

IR

Vibrations