Geometry & MOs

Info

ID:	388018
PubChem CID:	134987874
Reduced:	BrCNO2 (2)
Stoich.:	ABCD2 (2)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	9.37
Dipole, Da:	0.06
IP(EA), eV:	-11.26(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,6-dicyano-3,4-dimethyl-2,5-dihydropyridine-6-carboxylate

Drug info:

PubChemData

Smile

C(=C(/[N+](=O)[O-])\Br)(\[N+](=O)[O-])/Br

DOS

IR

Vibrations