Geometry & MOs

Info

ID:	165650
PubChem CID:	74579872
Reduced:	NO3H20C21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	397.143129
ΔH_f, kcal/mol:	-54.84
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754924
Charge, e:	1

Chem-info

IUPAC name:

1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1C=CCC(C1C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

DOS

IR

Vibrations