Geometry & MOs

Info

ID:	363713
PubChem CID:	127313331
Reduced:	O2S2N6C15H16 (1)
Stoich.:	A2B2C6D15E16 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	80.43
Dipole, Da:	3.89
IP(EA), eV:	-9.39(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC=CS2)N3CCN(CC3)C(=O)C4=CN=NS4

DOS

IR

Vibrations