Geometry & MOs

Info

ID:	7681
PubChem CID:	73717
Reduced:	OC5H8 (6)
Stoich.:	AB5C8 (6)
Weight, g/mol:	504.345089
ΔH_f, kcal/mol:	-317.4
Dipole, Da:	1.79
IP(EA), eV:	-10.62(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

triheptyl benzene-1,2,4-tricarboxylate

Drug info:

PubChemData

Smile

CCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCC)C(=O)OCCCCCCC

DOS

IR

Vibrations