Geometry & MOs

Info

ID:	174568
PubChem CID:	75787428
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	400.27125
ΔH_f, kcal/mol:	-25.33
Dipole, Da:	2.95
IP(EA), eV:	-9.2(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-ethylhexyl)-1-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1CCN(CC1)CC2=NN=C(O2)C3=CN=CC=C3

DOS

IR

Vibrations