Geometry & MOs

Info

ID:	137229
PubChem CID:	52173226
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	404.233802
ΔH_f, kcal/mol:	75.01
Dipole, Da:	6.69
IP(EA), eV:	-8.89(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=C(C(=CC=C3)[N+](=O)[O-])C

DOS

IR

Vibrations