Geometry & MOs

Info

ID:	362558
PubChem CID:	127308219
Reduced:	SO2N6C17H18 (1)
Stoich.:	AB2C6D17E18 (1)
Weight, g/mol:	395.14051
ΔH_f, kcal/mol:	8.98
Dipole, Da:	10.52
IP(EA), eV:	-8.66(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)NC4=CC5=C(C=C4)SCC(=O)N5

DOS

IR

Vibrations