Geometry & MOs

Info

ID:	411433
PubChem CID:	135084264
Reduced:	BrOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	186.104465
ΔH_f, kcal/mol:	12.07
Dipole, Da:	2.6
IP(EA), eV:	-8.68(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,5E)-1-phenylhepta-1,5-dien-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C(/C=C)\Br

DOS

IR

Vibrations