Geometry & MOs

Info

ID:	28906
PubChem CID:	830491
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	290.131366
ΔH_f, kcal/mol:	10.81
Dipole, Da:	1.6
IP(EA), eV:	-9.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=CN=C2)C(=N)OCC3=CC=CC=C3

DOS

IR

Vibrations