Geometry & MOs

Info

ID:	405914
PubChem CID:	135075913
Reduced:	SSiF3O3C23H23 (1)
Stoich.:	ABC3D3E23F23 (1)
Weight, g/mol:	357.278013
ΔH_f, kcal/mol:	-231.19
Dipole, Da:	2.39
IP(EA), eV:	-9.2(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-octyl-4-[(4-pentylphenoxy)methyl]triazole

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations