Geometry & MOs

Info

ID:	174526
PubChem CID:	75778333
Reduced:	FO2N4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	370.2243
ΔH_f, kcal/mol:	-81.8
Dipole, Da:	3.81
IP(EA), eV:	-9.24(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-yl]-3-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC(=O)C2CCN(CC2)CC3=NC(=NO3)C(C)(C)C

DOS

IR

Vibrations