Geometry & MOs

Info

ID:	140148
PubChem CID:	52655361
Reduced:	SN2O3F4C20H20 (1)
Stoich.:	AB2C3D4E20F20 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	-296.69
Dipole, Da:	2.74
IP(EA), eV:	-9.03(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,5-dimethylphenyl)methyl]-6-nitroindazole

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCOC1=CC=C(C=C1)C(F)(F)F)SCC(=O)NC2=CC=C(C=C2)F

DOS

IR

Vibrations