Geometry & MOs

Info

ID:	323374
PubChem CID:	126674628
Reduced:	F3N3O3C19H24 (1)
Stoich.:	A3B3C3D19E24 (1)
Weight, g/mol:	553.214818
ΔH_f, kcal/mol:	-273.23
Dipole, Da:	4.54
IP(EA), eV:	-9.02(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-morpholin-4-ylpyrimidin-4-yl)oxycyclohexyl]-3-[2-(oxetan-3-yloxy)-5-(trifluoromethoxy)phenyl]urea

Drug info:

PubChemData

Smile

CC(=O)N1CC(C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)NC3CCCCC3

DOS

IR

Vibrations