Geometry & MOs

Info

ID:	229992
PubChem CID:	87569834
Reduced:	OC15H30 (2)
Stoich.:	AB15C30 (2)
Weight, g/mol:	454.40221
ΔH_f, kcal/mol:	-231.77
Dipole, Da:	1.74
IP(EA), eV:	-10.38(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butan-2-yl-3-methylundecan-4-yl)dodecanedioic acid

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCCCC)C(=O)OCC(CCCC)CCCCCC

DOS

IR

Vibrations