Geometry & MOs

Info

ID:	227869
PubChem CID:	87562769
Reduced:	BrNO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	321.9953
ΔH_f, kcal/mol:	-107.42
Dipole, Da:	4.14
IP(EA), eV:	-9.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-bromo-3-hydroxy-6-pyridin-3-ylpyridine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=NC(=C1)C)Br)OC

DOS

IR

Vibrations