Geometry & MOs

Info

ID:	136983
PubChem CID:	52134572
Reduced:	SN5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	337.157246
ΔH_f, kcal/mol:	44.16
Dipole, Da:	5.66
IP(EA), eV:	-8.72(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1SCCC)CCN2C(=CC(=N2)C)C

DOS

IR

Vibrations