Geometry & MOs

Info

ID:	346534
PubChem CID:	127271038
Reduced:	FN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	395.175753
ΔH_f, kcal/mol:	-58.14
Dipole, Da:	6.17
IP(EA), eV:	-9.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC3=C(COC3)C=C2)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations