Geometry & MOs

Info

ID:	227863
PubChem CID:	87562749
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	676.636961
ΔH_f, kcal/mol:	-40.68
Dipole, Da:	4.24
IP(EA), eV:	-9.24(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(5-ethyloctadecyl) (E)-but-2-enedioate

Drug info:

PubChemData

Smile

CCCC1CC(CCCN1C=O)C2=CC=CC=C2

DOS

IR

Vibrations