Geometry & MOs

Info

ID:	41142
PubChem CID:	8145348
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	423.209282
ΔH_f, kcal/mol:	-111.99
Dipole, Da:	3.32
IP(EA), eV:	-8.17(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=O)C(=O)N(C3=O)C

DOS

IR

Vibrations