Geometry & MOs

Info

ID:	70804
PubChem CID:	48413892
Reduced:	ClO2N5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	329.128803
ΔH_f, kcal/mol:	21.48
Dipole, Da:	3.59
IP(EA), eV:	-9.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-fluorophenyl)-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)CCC2=NC(=NO2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations