Geometry & MOs

Info

ID:

360730

PubChem CID:

127301375

Reduced:

O2F3N4C18H29 (1)

Stoich.:

A2B3C4D18E29 (1)

Weight, g/mol:

335.232125

ΔHf, kcal/mol:

-281.22

Dipole, Da:

4.49

IP(EA), eV:

-9.11(0.56)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2CCN(CC2)C3CCN(C3=O)CC(F)(F)F

DOS

IR

Vibrations