Geometry & MOs

Info

ID:	406747
PubChem CID:	135078519
Reduced:	BrNPF6H7C9 (1)
Stoich.:	ABCD6E7F9 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-392.27
Dipole, Da:	15.05
IP(EA), eV:	-10.64(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,7E)-9-oxo-9-phenylnona-2,7-dienal

Drug info:

PubChemData

Smile

C1=CC=[N+]2C=C(C=CC2=C1)Br.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations