Geometry & MOs

Info

ID:	360904
PubChem CID:	127301601
Reduced:	O2F3N4C17H25 (1)
Stoich.:	A2B3C4D17E25 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-211.89
Dipole, Da:	4.69
IP(EA), eV:	-9.03(-0.51)
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]-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3CCCC(C3)C(F)(F)F

DOS

IR

Vibrations