Geometry & MOs

Info

ID:	392219
PubChem CID:	135013751
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	338.115424
ΔH_f, kcal/mol:	-4.66
Dipole, Da:	3.13
IP(EA), eV:	-9.04(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-benzoyloxy-4-oxohex-5-en-2-yl) benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2=C(C1)C=C3CCC3=C2)[N+]#[C-]

DOS

IR

Vibrations