Geometry & MOs

Info

ID:	338595
PubChem CID:	127259606
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	250.039672
ΔH_f, kcal/mol:	-54.9
Dipole, Da:	2.46
IP(EA), eV:	-8.96(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1E,3Z)-3-chloro-5-oxopenta-1,3-dienyl]-4-methoxybenzaldehyde

Drug info:

PubChemData

Smile

CCCC(CCC(C)O)O/N=C/C1=CC=CC=C1

DOS

IR

Vibrations