Geometry & MOs

Info

ID:	344541
PubChem CID:	127268125
Reduced:	O2N4C19H32 (1)
Stoich.:	A2B4C19D32 (1)
Weight, g/mol:	362.268176
ΔH_f, kcal/mol:	-65.88
Dipole, Da:	3.28
IP(EA), eV:	-9.07(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-cyclohexylethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CN2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations