Geometry & MOs

Info

ID:	259789
PubChem CID:	103174523
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	313.10413
ΔH_f, kcal/mol:	-100.59
Dipole, Da:	2.3
IP(EA), eV:	-9.58(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(bromomethyl)-2-ethylbutoxy]-2-ethyl-6-methylpyridine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)OC2=NC(=CO2)C(=O)OCC

DOS

IR

Vibrations