Geometry & MOs

Info

ID:	314777
PubChem CID:	126623045
Reduced:	BrClON3C10H13 (1)
Stoich.:	ABCD3E10F13 (1)
Weight, g/mol:	365.99776
ΔH_f, kcal/mol:	-52.15
Dipole, Da:	4.39
IP(EA), eV:	-9.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-6-methoxy-5-(2-methylpyrimidin-5-yl)-2H-indazole

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)NC2=NC(=CC=C2)Br.Cl

DOS

IR

Vibrations