Geometry & MOs

Info

ID:	401836
PubChem CID:	135052863
Reduced:	NO2H23C26 (1)
Stoich.:	AB2C23D26 (1)
Weight, g/mol:	292.131074
ΔH_f, kcal/mol:	-2.0
Dipole, Da:	6.25
IP(EA), eV:	-9.01(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(E)-2,3-diethoxy-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC(=O)C3=C(O2)C(=CC(=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations