Geometry & MOs

Info

ID:	304557
PubChem CID:	124756281
Reduced:	F3O3N4H15C17 (1)
Stoich.:	A3B3C4D15E17 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	-167.4
Dipole, Da:	5.22
IP(EA), eV:	-9.59(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)F)F)C(=O)N[C@H](C)C3=NC(=NO3)C

DOS

IR

Vibrations