Geometry & MOs

Info

ID:	37494
PubChem CID:	8021576
Reduced:	Cl2N2O5H10C15 (1)
Stoich.:	A2B2C5D10E15 (1)
Weight, g/mol:	315.017747
ΔH_f, kcal/mol:	-77.29
Dipole, Da:	3.26
IP(EA), eV:	-10.14(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(N=C2)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations