Geometry & MOs

Info

ID:	41149
PubChem CID:	8145360
Reduced:	N4O4C19H24 (1)
Stoich.:	A4B4C19D24 (1)
Weight, g/mol:	410.177647
ΔH_f, kcal/mol:	-105.0
Dipole, Da:	1.76
IP(EA), eV:	-8.73(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations