Geometry & MOs

Info

ID:	229730
PubChem CID:	87568685
Reduced:	O4C27H52 (1)
Stoich.:	A4B27C52 (1)
Weight, g/mol:	342.27701
ΔH_f, kcal/mol:	-291.56
Dipole, Da:	2.31
IP(EA), eV:	-10.74(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)COC(=O)CC(=O)OCC(CCCC)CCCCCC

DOS

IR

Vibrations