Geometry & MOs

Info

ID:	358714
PubChem CID:	127296528
Reduced:	SO2N3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	293.210327
ΔH_f, kcal/mol:	-84.68
Dipole, Da:	3.07
IP(EA), eV:	-8.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-5-[1-(4-propoxyazepan-1-yl)ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCOC1CCCN(CC1)CC(=O)NC2=NC3=C(S2)CCCC3

DOS

IR

Vibrations