Geometry & MOs

Info

ID:	6434
PubChem CID:	68609
Reduced:	O10C27H34 (1)
Stoich.:	A10B27C34 (1)
Weight, g/mol:	518.215197
ΔH_f, kcal/mol:	-415.0
Dipole, Da:	4.11
IP(EA), eV:	-9.88(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-carboxyphenoxy)propoxy]benzoic acid;decanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)OCCCOC2=CC=C(C=C2)C(=O)O.C(CCCCC(=O)O)CCCC(=O)O

DOS

IR

Vibrations