Geometry & MOs

Info

ID:	136570
PubChem CID:	52065989
Reduced:	FO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	455.184994
ΔH_f, kcal/mol:	-36.26
Dipole, Da:	5.67
IP(EA), eV:	-9.47(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-ium-4-yl]-2-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations