Geometry & MOs

Info

ID:	395567
PubChem CID:	135025862
Reduced:	NSO3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	284.97629
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	4.64
IP(EA), eV:	-8.46(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-iodotriazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C(=O)[C@]2(C)CS(=O)(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations