Geometry & MOs

Info

ID:	229503
PubChem CID:	87567863
Reduced:	O2C8H15 (2)
Stoich.:	A2B8C15 (2)
Weight, g/mol:	412.35526
ΔH_f, kcal/mol:	-232.88
Dipole, Da:	4.58
IP(EA), eV:	-11.03(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)CC(C)(C(=O)O)C(=O)O

DOS

IR

Vibrations