Geometry & MOs

Info

ID:	369602
PubChem CID:	127334861
Reduced:	OSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	56.92
Dipole, Da:	2.28
IP(EA), eV:	-8.7(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NN=CC=C2)CNC(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations