Geometry & MOs

Info

ID:	157803
PubChem CID:	56437338
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	420.183127
ΔH_f, kcal/mol:	19.11
Dipole, Da:	1.02
IP(EA), eV:	-9.4(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)sulfonyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NCC2CCN(CC2)C(=O)C(C3=CC=CC=C3)N4C=CC=N4

DOS

IR

Vibrations