Geometry & MOs

Info

ID:	346691
PubChem CID:	127271195
Reduced:	FON6C20H23 (1)
Stoich.:	ABC6D20E23 (1)
Weight, g/mol:	382.191738
ΔH_f, kcal/mol:	30.39
Dipole, Da:	5.97
IP(EA), eV:	-9.46(-1.04)
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-(3-fluorophenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCN2C(=NN=C2CN3CCCC(C3)C4=NC(=NO4)C5=CC(=CC=C5)F)C1

DOS

IR

Vibrations