Geometry & MOs

Info

ID:	253468
PubChem CID:	103118641
Reduced:	BrN5H12C13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	273.078123
ΔH_f, kcal/mol:	108.06
Dipole, Da:	5.37
IP(EA), eV:	-8.6(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=C(C(=NN2)N)C3=CC=C(C=C3)Br

DOS

IR

Vibrations