Geometry & MOs

Info

ID:	11661
PubChem CID:	118744
Reduced:	O2C9H14 (3)
Stoich.:	A2B9C14 (3)
Weight, g/mol:	462.298139
ΔH_f, kcal/mol:	-308.7
Dipole, Da:	2.94
IP(EA), eV:	-10.77(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-decoxycarbonyl-2-octoxycarbonylbenzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCCCC)C(=O)O

DOS

IR

Vibrations