Geometry & MOs

Info

ID:	297246
PubChem CID:	117614115
Reduced:	ClSN3O5F8H18C29 (1)
Stoich.:	ABC3D5E8F18G29 (1)
Weight, g/mol:	251.00581
ΔH_f, kcal/mol:	-469.93
Dipole, Da:	8.03
IP(EA), eV:	-9.54(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)ethyl]triazole

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)C2=C(C=CC(=C2)C3=CC(=C(C(=C3)S(=O)(=O)C)CO)F)N4C=C(C(=N4)C(F)(F)F)Cl)C5=CC(=C(C(=C5)F)OC(F)F)F

DOS

IR

Vibrations