Geometry & MOs

Info

ID:	360894
PubChem CID:	127301591
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	9.34
Dipole, Da:	4.93
IP(EA), eV:	-8.97(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3=C(N=C4C=CC(=CC4=C3)C)C

DOS

IR

Vibrations