Geometry & MOs

Info

ID:	363025
PubChem CID:	127310050
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	362.170253
ΔH_f, kcal/mol:	-8.59
Dipole, Da:	4.83
IP(EA), eV:	-8.98(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3(CC3)C4=CC(=CC(=C4)C)C

DOS

IR

Vibrations