Geometry & MOs

Info

ID:	387941
PubChem CID:	134987481
Reduced:	BrMgOC7H11 (1)
Stoich.:	ABCD7E11 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	-67.11
Dipole, Da:	6.32
IP(EA), eV:	-8.97(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2Z)-2-benzylideneoct-3-enal

Drug info:

PubChemData

Smile

CC1=C(CCCC1)[O-].[Mg+2].[Br-]

DOS

IR

Vibrations