Geometry & MOs

Info

ID:	229729
PubChem CID:	87568679
Reduced:	NO6C28H31 (1)
Stoich.:	AB6C28D31 (1)
Weight, g/mol:	440.38656
ΔH_f, kcal/mol:	-169.58
Dipole, Da:	4.13
IP(EA), eV:	-8.35(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-butyloctyl) propanedioate

Drug info:

PubChemData

Smile

CC(NCC(COC1=CC=C(C=C1)/C(=C/C2=CC=CC=C2)/C(=O)OC)O)OC3=CC=CC=C3OC

DOS

IR

Vibrations