Geometry & MOs

Info

ID:	399014
PubChem CID:	135037027
Reduced:	NOC14H28 (1)
Stoich.:	ABC14D28 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	-75.2
Dipole, Da:	1.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754446
Charge, e:	0

Chem-info

IUPAC name:

(1R,3aS,6aR)-3,3,5-trimethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC1(CCC[NH+]=C1OC)CC(C)C

DOS

IR

Vibrations