Geometry & MOs

Info

ID:	37563
PubChem CID:	8022257
Reduced:	ClNO5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	292.06147
ΔH_f, kcal/mol:	-177.74
Dipole, Da:	3.31
IP(EA), eV:	-9.07(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-cyanoethylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)/C=C/C2=CC=CC=C2Cl)C)C

DOS

IR

Vibrations