Geometry & MOs

Info

ID:	444314
PubChem CID:	135262061
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	346.164105
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	6.44
IP(EA), eV:	-8.22(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)N2CCN(CC2)CC3COC4=CC=CC=C4O3)COC

DOS

IR

Vibrations