Geometry & MOs

Info

ID:	136534
PubChem CID:	52058021
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	449.255266
ΔH_f, kcal/mol:	-22.36
Dipole, Da:	7.13
IP(EA), eV:	-8.79(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-benzyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)CC3=NC(=NO3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations