Geometry & MOs

Info

ID:	385707
PubChem CID:	134979789
Reduced:	NO3C24H33 (1)
Stoich.:	AB3C24D33 (1)
Weight, g/mol:	358.162768
ΔH_f, kcal/mol:	-89.62
Dipole, Da:	2.78
IP(EA), eV:	-8.53(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

triethyl (E)-2-(2-ethoxy-2-oxoethyl)but-3-ene-1,1,4-tricarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCCCC(C)(CCCC2=CC=CC=C2)C(=O)NOC

DOS

IR

Vibrations