Geometry & MOs

Info

ID:	40452
PubChem CID:	8144154
Reduced:	FSN5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	329.167417
ΔH_f, kcal/mol:	64.05
Dipole, Da:	2.84
IP(EA), eV:	-8.36(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations