Geometry & MOs

Info

ID:	248644
PubChem CID:	103083277
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	333.02252
ΔH_f, kcal/mol:	38.4
Dipole, Da:	4.88
IP(EA), eV:	-9.49(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)[C@@H]3CCCCN3

DOS

IR

Vibrations