Geometry & MOs

Info

ID:	446991
PubChem CID:	135279362
Reduced:	O2N3H20C21 (2)
Stoich.:	A2B3C20D21 (2)
Weight, g/mol:	279.154704
ΔH_f, kcal/mol:	-9.93
Dipole, Da:	5.68
IP(EA), eV:	-8.38(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-fluoro-1-(2-fluoroethyl)piperidin-4-yl]-5-methyl-1H-indazole

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C=C(C=N2)C3=CN=C(C=C3)N4CCN(CC4)CCCOC5=CC=C(C=C5)C6=C(C=CC7=C6C=CC(=C7)O)C8=CC=CC=C8

DOS

IR

Vibrations