Geometry & MOs

Info

ID:	55311
PubChem CID:	17390037
Reduced:	BrNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	191.117095
ΔH_f, kcal/mol:	-141.86
Dipole, Da:	1.52
IP(EA), eV:	-9.58(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

C1CC(NC1)C2=CC=CC=C2Br.C(=O)(C(=O)O)O

DOS

IR

Vibrations