Geometry & MOs

Info

ID:	220903
PubChem CID:	85240328
Reduced:	NO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	-75.88
Dipole, Da:	3.91
IP(EA), eV:	-8.7(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxoundeca-2,4-dien-6-yl benzoate

Drug info:

PubChemData

Smile

CCC1=CN(C(=C1C(=O)OCC)C)C(C)C2=CC=CC=C2

DOS

IR

Vibrations