Geometry & MOs

Info

ID:	35388
PubChem CID:	7979795
Reduced:	Cl2N3O4H9C15 (1)
Stoich.:	A2B3C4D9E15 (1)
Weight, g/mol:	273.074956
ΔH_f, kcal/mol:	-18.92
Dipole, Da:	8.07
IP(EA), eV:	-9.61(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[(1S)-1-cyanoethyl] pyridine-2,6-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-])Cl)C#N

DOS

IR

Vibrations