Geometry & MOs

Info

ID:	267612
PubChem CID:	103582990
Reduced:	BrClN4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	271.94644
ΔH_f, kcal/mol:	69.09
Dipole, Da:	2.22
IP(EA), eV:	-8.35(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-3-chloropyridin-2-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=C(C=C(C=N2)Br)Cl)C)N

DOS

IR

Vibrations