Geometry & MOs

Info

ID:	11148
PubChem CID:	111469
Reduced:	O8C17H33 (2)
Stoich.:	A8B17C33 (2)
Weight, g/mol:	730.435086
ΔH_f, kcal/mol:	-884.34
Dipole, Da:	9.78
IP(EA), eV:	-9.74(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanedioic acid;2-ethylhexan-1-ol;hexanedioic acid;methanol;8-methylnonanoic acid;pentanedioic acid

Drug info:

PubChemData

Smile

CCCCC(CC)CO.CC(C)CCCCCCC(=O)O.CO.C(CCC(=O)O)CC(=O)O.C(CC(=O)O)CC(=O)O.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations