Geometry & MOs

Info

ID:	394873
PubChem CID:	135024014
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	337.123982
ΔH_f, kcal/mol:	-141.22
Dipole, Da:	2.39
IP(EA), eV:	-9.36(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-(1,3-dioxoisoindol-2-yl)-3-[3-(tritiomethyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)C1COC(N1)C2=CC=CC=C2OC(=O)C

DOS

IR

Vibrations