Geometry & MOs

Info

ID:	345750
PubChem CID:	127270050
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	374.177647
ΔH_f, kcal/mol:	-51.35
Dipole, Da:	4.55
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(=O)C4CCCCCC4

DOS

IR

Vibrations