Geometry & MOs

Info

ID:	41061
PubChem CID:	8145191
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	395.177982
ΔH_f, kcal/mol:	-57.9
Dipole, Da:	5.26
IP(EA), eV:	-8.31(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CC3=C(C=C(C(=C3)C)C)O

DOS

IR

Vibrations