Geometry & MOs

Info

ID:	149474
PubChem CID:	53789147
Reduced:	Cl2N3O3C21H23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	-96.94
Dipole, Da:	0.84
IP(EA), eV:	-8.74(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-7-methylocta-2,6-dienal

Drug info:

PubChemData

Smile

CCN(CC)CCN1C2=C(C(=CC(=C2)NC=O)Cl)C(C1=O)(C3=CC=CC=C3Cl)O

DOS

IR

Vibrations