Geometry & MOs

Info

ID:	158983
PubChem CID:	57244348
Reduced:	Cl3O3H17C26 (1)
Stoich.:	A3B3C17D26 (1)
Weight, g/mol:	301.204179
ΔH_f, kcal/mol:	-53.26
Dipole, Da:	6.03
IP(EA), eV:	-8.98(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(diethylamino)ethyl 2-methyl-5-(4-methylphenyl)penta-2,4-dienoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C2=CC=CC=C2C(=O)O)C3=C(C=C(C=C3)C4=CC(=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations