Geometry & MOs

Info

ID:	11147
PubChem CID:	111468
Reduced:	O8C15H30 (2)
Stoich.:	A8B15C30 (2)
Weight, g/mol:	676.388136
ΔH_f, kcal/mol:	-830.95
Dipole, Da:	1.17
IP(EA), eV:	-10.19(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanedioic acid;2-butoxyethanol;2-ethylhexan-1-ol;hexanedioic acid;methanol;pentanedioic acid

Drug info:

PubChemData

Smile

CCCCC(CC)CO.CCCCOCCO.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