Geometry & MOs

Info

ID:	29188
PubChem CID:	832244
Reduced:	N2O2C5H9 (2)
Stoich.:	A2B2C5D9 (2)
Weight, g/mol:	258.132805
ΔH_f, kcal/mol:	-183.29
Dipole, Da:	4.68
IP(EA), eV:	-10.0(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-1,4-diethyl-3,6-bis(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

Drug info:

PubChemData

Smile

CCN1[C@H]2[C@@H](N(C(=O)N2CO)CC)N(C1=O)CO

DOS

IR

Vibrations