Geometry & MOs

Info

ID:	248182
PubChem CID:	103079500
Reduced:	BrN3O3H10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	205.067369
ΔH_f, kcal/mol:	57.57
Dipole, Da:	8.41
IP(EA), eV:	-9.16(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-phenylsulfanylpyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC2=C(C3=CC=CC=C3C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations