Geometry & MOs

Info

ID:	351675
PubChem CID:	127280762
Reduced:	ON6C16H28 (1)
Stoich.:	AB6C16D28 (1)
Weight, g/mol:	391.25834
ΔH_f, kcal/mol:	-14.12
Dipole, Da:	3.68
IP(EA), eV:	-8.9(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCN(CC2)CCN3C=NC=N3

DOS

IR

Vibrations