Geometry & MOs

Info

ID:	438809
PubChem CID:	135228566
Reduced:	NO3F6H13C21 (1)
Stoich.:	AB3C6D13E21 (1)
Weight, g/mol:	224.106196
ΔH_f, kcal/mol:	-344.34
Dipole, Da:	7.08
IP(EA), eV:	-9.2(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5,6-dimethylpyrimidin-4-yl)-1H-indazole

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CN3C=CC(=C3)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations