Geometry & MOs

Info

ID:	363068
PubChem CID:	127310099
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	349.21139
ΔH_f, kcal/mol:	-4.77
Dipole, Da:	7.04
IP(EA), eV:	-8.52(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC(=C4C)C

DOS

IR

Vibrations