Geometry & MOs

Info

ID:	344542
PubChem CID:	127268126
Reduced:	ON2C10H17 (2)
Stoich.:	AB2C10D17 (2)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-70.66
Dipole, Da:	2.95
IP(EA), eV:	-8.99(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C(C)(C)C)N2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations