Geometry & MOs

Info

ID:	337791
PubChem CID:	127258414
Reduced:	O4C15H16 (1)
Stoich.:	A4B15C16 (1)
Weight, g/mol:	324.23006
ΔH_f, kcal/mol:	-137.84
Dipole, Da:	4.89
IP(EA), eV:	-9.62(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-[(2E)-3,7,11-trimethyldodeca-2,10-dienoxy]butanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C=C(\C(=C)C(=O)O)/C(=O)O

DOS

IR

Vibrations