Geometry & MOs

Info

ID:	444315
PubChem CID:	135262062
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	346.164105
ΔH_f, kcal/mol:	-59.05
Dipole, Da:	2.77
IP(EA), eV:	-8.75(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-5-(methoxymethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

COCC1=NC(=NO1)N2CCN(CC2)C[C@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations