Geometry & MOs

Info

ID:	394493
PubChem CID:	135023106
Reduced:	NSSiO3C24H35 (1)
Stoich.:	ABCD3E24F35 (1)
Weight, g/mol:	257.076454
ΔH_f, kcal/mol:	-128.97
Dipole, Da:	5.53
IP(EA), eV:	-8.83(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-bis(2-fluorophenyl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC2C3=CC=C(C=C3)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations