Geometry & MOs

Info

ID:	9942
PubChem CID:	95151
Reduced:	OC7H13 (4)
Stoich.:	AB7C13 (4)
Weight, g/mol:	452.38656
ΔH_f, kcal/mol:	-265.1
Dipole, Da:	2.02
IP(EA), eV:	-10.77(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

didodecyl but-2-enedioate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCC

DOS

IR

Vibrations