Geometry & MOs

Info

ID:	363020
PubChem CID:	127310045
Reduced:	O3N5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-86.02
Dipole, Da:	3.06
IP(EA), eV:	-8.9(-0.27)
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-phenylcyclopentyl)methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CN3CCCCC3=O

DOS

IR

Vibrations