Geometry & MOs

Info

ID:	70803
PubChem CID:	48413891
Reduced:	F3O3N5C15H16 (1)
Stoich.:	A3B3C5D15E16 (1)
Weight, g/mol:	345.099252
ΔH_f, kcal/mol:	-167.38
Dipole, Da:	9.43
IP(EA), eV:	-9.52(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations