Geometry & MOs

Info

ID:	363065
PubChem CID:	127310096
Reduced:	O4N5C18H29 (1)
Stoich.:	A4B5C18D29 (1)
Weight, g/mol:	391.25834
ΔH_f, kcal/mol:	-122.51
Dipole, Da:	1.49
IP(EA), eV:	-9.36(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CCC(=O)N3CCOCC3

DOS

IR

Vibrations