Geometry & MOs

Info

ID:	48191
PubChem CID:	10537819
Reduced:	ClN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	236.060407
ΔH_f, kcal/mol:	23.55
Dipole, Da:	4.99
IP(EA), eV:	-9.6(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E,4E)-5-(4-chlorophenyl)penta-2,4-dienoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C(C=CN=C12)Cl)C)[N+](=O)[O-]

DOS

IR

Vibrations