Geometry & MOs

Info

ID:	360695
PubChem CID:	127301340
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-52.82
Dipole, Da:	3.73
IP(EA), eV:	-8.72(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CCN(CC1)C2CC2)C3CCN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations