Geometry & MOs

Info

ID:	126895
PubChem CID:	50983336
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	281.098669
ΔH_f, kcal/mol:	-53.95
Dipole, Da:	4.27
IP(EA), eV:	-8.72(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-(phenylsulfanylmethyl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC(=O)CNC2CC=CC2

DOS

IR

Vibrations