Geometry & MOs

Info

ID:	363015
PubChem CID:	127310040
Reduced:	O3N4C18H30 (1)
Stoich.:	A3B4C18D30 (1)
Weight, g/mol:	396.252526
ΔH_f, kcal/mol:	-96.39
Dipole, Da:	3.73
IP(EA), eV:	-9.01(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CCC3CCCCO3

DOS

IR

Vibrations