Geometry & MOs

Info

ID:	20955
PubChem CID:	586361
Reduced:	OSN4C17H18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	326.120132
ΔH_f, kcal/mol:	68.56
Dipole, Da:	6.1
IP(EA), eV:	-8.37(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(dimethylamino)phenoxy]methyl]-4-phenyl-1,2,4-triazole-3-thiol

Drug info:

PubChemData

Smile

CN(C)C1=CC(=CC=C1)OCC2=NN=C(N2C3=CC=CC=C3)S

DOS

IR

Vibrations