Geometry & MOs

Info

ID:	348018
PubChem CID:	127273080
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	348.252526
ΔH_f, kcal/mol:	-76.69
Dipole, Da:	1.64
IP(EA), eV:	-8.98(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCN(CC2)CC3=NN=C(O3)C(C)C

DOS

IR

Vibrations