Geometry & MOs

Info

ID:	229993
PubChem CID:	87569836
Reduced:	O2C14H27 (2)
Stoich.:	A2B14C27 (2)
Weight, g/mol:	566.527411
ΔH_f, kcal/mol:	-285.07
Dipole, Da:	5.81
IP(EA), eV:	-10.33(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-butyloctyl) dodecanedioate

Drug info:

PubChemData

Smile

CCCCCCCC(C(C)CC)(C(C)CC)C(CCCCCCCCCC(=O)O)C(=O)O

DOS

IR

Vibrations