Geometry & MOs

Info

ID:	229872
PubChem CID:	87569418
Reduced:	O4C15H28 (1)
Stoich.:	A4B15C28 (1)
Weight, g/mol:	356.29266
ΔH_f, kcal/mol:	-233.7
Dipole, Da:	5.54
IP(EA), eV:	-10.6(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(2-ethylbutyl)-7-methyloctanedioic acid

Drug info:

PubChemData

Smile

CCC(CC)CC(C)(CCCC(C)C(=O)O)C(=O)O

DOS

IR

Vibrations