Geometry & MOs

Info

ID:	229888
PubChem CID:	87569445
Reduced:	OC56H86 (1)
Stoich.:	AB56C86 (1)
Weight, g/mol:	286.214409
ΔH_f, kcal/mol:	-39.37
Dipole, Da:	1.35
IP(EA), eV:	-8.68(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylbutyl)-2-methylnonanedioic acid

Drug info:

PubChemData

Smile

CCCCCC/C=C(/C=C)\C1=C(C(=C(C(=C1/C(=C\CCCCCC)/C=C)/C(=C\CCCCCC)/C=C)O)/C(=C\CCCCCC)/C=C)/C(=C\CCCCCC)/C=C

DOS

IR

Vibrations