Geometry & MOs

Info

ID:	29191
PubChem CID:	832255
Reduced:	NOC2H3 (4)
Stoich.:	ABC2D3 (4)
Weight, g/mol:	258.132805
ΔH_f, kcal/mol:	-154.1
Dipole, Da:	7.41
IP(EA), eV:	-10.3(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1[C@@H]2[C@H](N(C1=O)C)N(C(=O)N2)CC(=O)O

DOS

IR

Vibrations