Geometry & MOs

Info

ID:	444460
PubChem CID:	135262502
Reduced:	SN3O3C5H5 (1)
Stoich.:	AB3C3D5E5 (1)
Weight, g/mol:	233.132826
ΔH_f, kcal/mol:	-97.42
Dipole, Da:	1.76
IP(EA), eV:	-9.64(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3S,4R)-3-fluoropiperidin-4-yl]-5-methyl-1H-indazole

Drug info:

PubChemData

Smile

C1=NC(=C(S1)NC(=O)O)C(=O)N

DOS

IR

Vibrations