Geometry & MOs

Info

ID:	253757
PubChem CID:	103120427
Reduced:	ON6H10C14 (1)
Stoich.:	AB6C10D14 (1)
Weight, g/mol:	241.09636
ΔH_f, kcal/mol:	130.3
Dipole, Da:	2.94
IP(EA), eV:	-8.6(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NOC(=N2)C3=C4C=NC=CN4N=C3)N

DOS

IR

Vibrations