Geometry & MOs

Info

ID:	403882
PubChem CID:	135062362
Reduced:	OC6H11 (4)
Stoich.:	AB6C11 (4)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-258.15
Dipole, Da:	1.16
IP(EA), eV:	-9.6(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S,6R,6aS)-2-tert-butyl-6-ethenyl-4-[(E)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)CCCCCCCC/C=C\CCCCCCCCC(=O)OCC

DOS

IR

Vibrations