Geometry & MOs

Info

ID:	396861
PubChem CID:	135029356
Reduced:	ClON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	346.105253
ΔH_f, kcal/mol:	39.11
Dipole, Da:	2.59
IP(EA), eV:	-9.21(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,6-bis[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]-2-oxoacetic acid

Drug info:

PubChemData

Smile

CN(CN1C2=CC=CC=C2N=C1Cl)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations