Geometry & MOs

Info

ID:	438696
PubChem CID:	135228447
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	210.090546
ΔH_f, kcal/mol:	-2.21
Dipole, Da:	4.61
IP(EA), eV:	-9.05(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-methylpyrimidin-4-yl)-1H-indazole

Drug info:

PubChemData

Smile

CC(C)C(=O)NCC1=CC2=C(C=C1)NN=C2

DOS

IR

Vibrations