Geometry & MOs

Info

ID:	364084
PubChem CID:	127313873
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	6.38
Dipole, Da:	0.68
IP(EA), eV:	-8.71(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(oxan-4-ylmethyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1COCCC1CN2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations