Geometry & MOs

Info

ID:	368021
PubChem CID:	127326513
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	382.186572
ΔH_f, kcal/mol:	45.37
Dipole, Da:	4.39
IP(EA), eV:	-9.53(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=CC=C2)NC(=O)N3CCCC4(C3)CCC=CC4

DOS

IR

Vibrations