Geometry & MOs

Info

ID:	24430
PubChem CID:	610230
Reduced:	O3C10H14 (2)
Stoich.:	A3B10C14 (2)
Weight, g/mol:	364.188589
ΔH_f, kcal/mol:	-263.95
Dipole, Da:	2.56
IP(EA), eV:	-10.7(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O,2-O-dimethyl 4-O-nonyl benzene-1,2,4-tricarboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC

DOS

IR

Vibrations