Geometry & MOs

Info

ID:	397549
PubChem CID:	135030373
Reduced:	C17H22 (2)
Stoich.:	A17B22 (2)
Weight, g/mol:	404.100836
ΔH_f, kcal/mol:	125.3
Dipole, Da:	0.38
IP(EA), eV:	-8.4(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(1,3-dioxo-3a,4,7,7a-tetrahydro-4,7-epoxyisoindol-2-yl)hexa-2,4-diynyl]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCC(=C)C#C/C(=C(/C#C/C(=C(/C#C/C(=C(/C#CC(=C)CC)\CC)/CC)\CC)/CC)\CC)/CC

DOS

IR

Vibrations