Geometry & MOs

Info

ID:	386563
PubChem CID:	134982166
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	406.178024
ΔH_f, kcal/mol:	-132.8
Dipole, Da:	3.91
IP(EA), eV:	-8.97(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E,4E)-5-[(2R,3R)-3-(4-methoxy-4-oxobutyl)oxiran-2-yl]penta-2,4-dienyl] 4-phenylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(C(=C1C)C)(C)OC(=O)C)C

DOS

IR

Vibrations