Geometry & MOs

Info

ID:	338596
PubChem CID:	127259607
Reduced:	ClO3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	236.120115
ΔH_f, kcal/mol:	-53.93
Dipole, Da:	8.09
IP(EA), eV:	-9.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-dec-3-en-1,5-diynyl]benzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=O)/C=C/C(=C/C=O)/Cl

DOS

IR

Vibrations