Geometry & MOs

Info

ID:	232472
PubChem CID:	87576265
Reduced:	O3C12H14 (2)
Stoich.:	A3B12C14 (2)
Weight, g/mol:	167.052831
ΔH_f, kcal/mol:	-213.59
Dipole, Da:	4.85
IP(EA), eV:	-9.9(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCCCC(=C(C=CC(=O)O)C(=O)O)C(=CC1=CC=CC=C1)C=C(CCC)C(=O)O

DOS

IR

Vibrations