Geometry & MOs

Info

ID:	41126
PubChem CID:	8145300
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	374.201457
ΔH_f, kcal/mol:	-156.97
Dipole, Da:	6.0
IP(EA), eV:	-8.94(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NCN2C(=O)/C(=C\C3=CC=C(O3)C)/SC2=O

DOS

IR

Vibrations