Geometry & MOs

Info

ID:	314902
PubChem CID:	126623947
Reduced:	BrNO3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	224.128668
ΔH_f, kcal/mol:	-105.38
Dipole, Da:	15.39
IP(EA), eV:	-8.07(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl 2-(4-methoxypyridin-1-ium-1-yl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations