Geometry & MOs

Info

ID:	129238
PubChem CID:	51072028
Reduced:	N3O4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	248.986257
ΔH_f, kcal/mol:	-122.17
Dipole, Da:	7.19
IP(EA), eV:	-9.03(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-2-methylsulfonylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])NC2CCN(CC2)C(=O)OC(C)(C)C

DOS

IR

Vibrations