Geometry & MOs

Info

ID:	384634
PubChem CID:	134977374
Reduced:	HC2 (16)
Stoich.:	AB2 (16)
Weight, g/mol:	436.090665
ΔH_f, kcal/mol:	309.06
Dipole, Da:	0.01
IP(EA), eV:	-8.09(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E,6E)-6-(4-nitrobenzoyl)oxyocta-2,6-dien-4-yn-3-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C2=C=C=C=C=C=C=C4C5=CC=CC=C5C6=CC=CC=C64

DOS

IR

Vibrations