Geometry & MOs

Info

ID:	345539
PubChem CID:	127269839
Reduced:	ClFO2N4C18H24 (1)
Stoich.:	ABC2D4E18F24 (1)
Weight, g/mol:	324.190989
ΔH_f, kcal/mol:	-125.5
Dipole, Da:	3.53
IP(EA), eV:	-9.18(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]urea

Drug info:

PubChemData

Smile

C1CCN(C1)C(CNC(=O)NC2CCCNC2=O)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations