Geometry & MOs

Info

ID:	364720
PubChem CID:	127316026
Reduced:	O2N6C19H30 (1)
Stoich.:	A2B6C19D30 (1)
Weight, g/mol:	346.211724
ΔH_f, kcal/mol:	-69.86
Dipole, Da:	3.89
IP(EA), eV:	-8.97(0.75)
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-(1H-imidazol-2-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCCC(C2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations