Geometry & MOs

Info

ID:	355632
PubChem CID:	127289390
Reduced:	ON3C10H16 (2)
Stoich.:	AB3C10D16 (2)
Weight, g/mol:	360.227374
ΔH_f, kcal/mol:	-64.43
Dipole, Da:	6.97
IP(EA), eV:	-8.88(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3CCCN(C3)C(=O)N4CCCC4

DOS

IR

Vibrations