Geometry & MOs

Info

ID:	24431
PubChem CID:	610231
Reduced:	O6C23H34 (1)
Stoich.:	A6B23C34 (1)
Weight, g/mol:	406.235539
ΔH_f, kcal/mol:	-276.16
Dipole, Da:	2.55
IP(EA), eV:	-10.59(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations