Geometry & MOs

Info

ID:	29187
PubChem CID:	832235
Reduced:	ClNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	258.132805
ΔH_f, kcal/mol:	-128.32
Dipole, Da:	1.46
IP(EA), eV:	-8.44(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=CC2=C(C=C1)OCCO2)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations