Geometry & MOs

Info

ID:	399600
PubChem CID:	135041204
Reduced:	NPdH15C17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	141.94
Dipole, Da:	1.94
IP(EA), eV:	-7.23(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-6-phenylmethoxyhexa-3,5-dien-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCCC(=[N-])C2=CC=CC=C2.[PdH+]

DOS

IR

Vibrations