Geometry & MOs

Info

ID:	369368
PubChem CID:	127332661
Reduced:	SN3O3C18H29 (1)
Stoich.:	AB3C3D18E29 (1)
Weight, g/mol:	393.27399
ΔH_f, kcal/mol:	-122.68
Dipole, Da:	3.33
IP(EA), eV:	-9.45(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)N2CCOC(C2)C3=NC=CS3

DOS

IR

Vibrations