Geometry & MOs

Info

ID:	234051
PubChem CID:	92297624
Reduced:	NOH11C13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	28.05
Dipole, Da:	3.2
IP(EA), eV:	-8.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-3,3a,4,6a-tetramethyl-6-[(2R)-2-methyl-3-oxobutanoyl]-1H-imidazo[4,5-d]imidazole-2,5-dione

Drug info:

PubChemData

Smile

C[C@H](C#N)OC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations