Geometry & MOs

Info

ID:	29178
PubChem CID:	832196
Reduced:	N2O2C6H11 (2)
Stoich.:	A2B2C6D11 (2)
Weight, g/mol:	286.164105
ΔH_f, kcal/mol:	-188.09
Dipole, Da:	5.61
IP(EA), eV:	-9.93(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations