Geometry & MOs

Info

ID:	436588
PubChem CID:	135205704
Reduced:	ClN5O5H26C28 (1)
Stoich.:	AB5C5D26E28 (1)
Weight, g/mol:	245.041211
ΔH_f, kcal/mol:	-65.17
Dipole, Da:	3.51
IP(EA), eV:	-8.28(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-2-(2,2,2-trifluoroethyl)indazole

Drug info:

PubChemData

Smile

CN1C=C2C=C(C=CC2=N1)NC(=O)C(CCOC)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)C5=CN=CO5)OC

DOS

IR

Vibrations