Geometry & MOs

Info

ID:	32705
PubChem CID:	7847236
Reduced:	ClNO4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	386.103335
ΔH_f, kcal/mol:	-130.37
Dipole, Da:	3.19
IP(EA), eV:	-8.65(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)NC(=O)COC(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations