Geometry & MOs

Info

ID:	248121
PubChem CID:	103079050
Reduced:	BrON3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	300.96175
ΔH_f, kcal/mol:	43.71
Dipole, Da:	4.87
IP(EA), eV:	-8.51(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC2=CC=C(C=C2)Br)N

DOS

IR

Vibrations