Geometry & MOs

Info

ID:	9182
PubChem CID:	87028
Reduced:	BrNO2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	245.00514
ΔH_f, kcal/mol:	-76.64
Dipole, Da:	3.87
IP(EA), eV:	-8.37(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-pyridin-1-ium-1-ylacetate;bromide

Drug info:

PubChemData

Smile

CCOC(=O)C[N+]1=CC=CC=C1.[Br-]

DOS

IR

Vibrations