Geometry & MOs

Info

ID:	385073
PubChem CID:	134978261
Reduced:	O4C17H28 (1)
Stoich.:	A4B17C28 (1)
Weight, g/mol:	503.93948
ΔH_f, kcal/mol:	-180.18
Dipole, Da:	1.38
IP(EA), eV:	-9.84(1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E,5E)-5-acetyloxy-1,6-bis(4-bromophenyl)hexa-1,5-dien-3-yn-2-yl] acetate

Drug info:

PubChemData

Smile

CC1(OCCO1)CCC#CCCCCOC2CCCCO2

DOS

IR

Vibrations