Geometry & MOs

Info

ID:	438802
PubChem CID:	135228559
Reduced:	ClN2O2H21C23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	210.090546
ΔH_f, kcal/mol:	-11.9
Dipole, Da:	4.51
IP(EA), eV:	-9.06(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=O)C(CC2)(C)C3=NC=C(C=C3)OCC4=CC=CC=C4)Cl

DOS

IR

Vibrations