Geometry & MOs

Info

ID:	136580
PubChem CID:	52067545
Reduced:	O2F3N6H23C24 (1)
Stoich.:	A2B3C6D23E24 (1)
Weight, g/mol:	460.183458
ΔH_f, kcal/mol:	-99.26
Dipole, Da:	5.16
IP(EA), eV:	-8.99(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-[1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)CC4=NC(=NO4)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations