Geometry & MOs

Info

ID:	37488
PubChem CID:	8021528
Reduced:	Cl2N2O3H14C20 (1)
Stoich.:	A2B2C3D14E20 (1)
Weight, g/mol:	301.002097
ΔH_f, kcal/mol:	-48.79
Dipole, Da:	4.26
IP(EA), eV:	-8.99(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-cyanoethylamino)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)COC(=O)C3=CC(=C(N=C3)Cl)Cl

DOS

IR

Vibrations