Geometry & MOs

Info

ID:	60260
PubChem CID:	26676024
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-33.54
Dipole, Da:	5.43
IP(EA), eV:	-8.61(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=CC=CC=[N+]2[O-]

DOS

IR

Vibrations