Geometry & MOs

Info

ID:	346685
PubChem CID:	127271189
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	382.191738
ΔH_f, kcal/mol:	25.94
Dipole, Da:	2.69
IP(EA), eV:	-8.78(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCN(CC2)CC3=CSC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations