Geometry & MOs

Info

ID:	151148
PubChem CID:	53790847
Reduced:	O3C27H34 (1)
Stoich.:	A3B27C34 (1)
Weight, g/mol:	372.193674
ΔH_f, kcal/mol:	-126.8
Dipole, Da:	7.27
IP(EA), eV:	-8.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-methoxycarbonyl-2,6-dimethyl-10-oxoundeca-2,6-dienyl) benzoate

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2=CC3=C(C=C2C)C(CCC3(C)C)(C)C)C=CC(=O)O

DOS

IR

Vibrations