Geometry & MOs

Info

ID:	323423
PubChem CID:	126674776
Reduced:	F3O4N6C27H35 (1)
Stoich.:	A3B4C6D27E35 (1)
Weight, g/mol:	511.204254
ΔH_f, kcal/mol:	-287.19
Dipole, Da:	4.18
IP(EA), eV:	-8.89(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-methoxy-5-(trifluoromethoxy)phenyl]-3-[4-(6-morpholin-4-ylpyrimidin-4-yl)oxycyclohexyl]urea

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)CN3CCOCC3)OC4=NC(=NC=C4)N5CCOCC5

DOS

IR

Vibrations