Geometry & MOs

Info

ID:	137636
PubChem CID:	52237589
Reduced:	F2N3O3C22H23 (1)
Stoich.:	A2B3C3D22E23 (1)
Weight, g/mol:	253.204179
ΔH_f, kcal/mol:	-189.47
Dipole, Da:	2.79
IP(EA), eV:	-9.27(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations