Geometry & MOs

Info

ID:	373325
PubChem CID:	131313311
Reduced:	Cl2N2O2H6C9 (1)
Stoich.:	A2B2C2D6E9 (1)
Weight, g/mol:	270.98441
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	6.25
IP(EA), eV:	-9.61(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-3-cyclopropyl-6-oxo-1H-pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1CC(=O)O)N=C(N2)Cl)Cl

DOS

IR

Vibrations