Geometry & MOs

Info

ID:	402046
PubChem CID:	135054013
Reduced:	O5C19H22 (1)
Stoich.:	A5B19C22 (1)
Weight, g/mol:	300.172545
ΔH_f, kcal/mol:	-174.67
Dipole, Da:	2.7
IP(EA), eV:	-9.79(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4E)-3-oxododeca-1,4-dien-2-yl] benzoate

Drug info:

PubChemData

Smile

COC(=O)C1(CCCC(=C)C(C1)C(=O)C2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations