Geometry & MOs

Info

ID:	339558
PubChem CID:	127261548
Reduced:	N2O3C19H36 (1)
Stoich.:	A2B3C19D36 (1)
Weight, g/mol:	440.162374
ΔH_f, kcal/mol:	-198.82
Dipole, Da:	5.96
IP(EA), eV:	-9.48(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6Z)-4-benzoyl-2,6-dibenzylideneheptanedioic acid

Drug info:

PubChemData

Smile

CCCCCCN(CCCCCC)C(=O)CCC(=O)CCC(=O)N

DOS

IR

Vibrations