Geometry & MOs

Info

ID:	361631
PubChem CID:	127303921
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	308.105545
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	5.89
IP(EA), eV:	-8.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(thiadiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CC=CC=C3N4CCOCC4

DOS

IR

Vibrations