Geometry & MOs

Info

ID:	323384
PubChem CID:	126674654
Reduced:	NO6C19H19 (1)
Stoich.:	AB6C19D19 (1)
Weight, g/mol:	485.188603
ΔH_f, kcal/mol:	-202.42
Dipole, Da:	5.98
IP(EA), eV:	-9.82(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2-hydroxyethylamino)pyrimidin-4-yl]oxycyclohexyl]-3-[2-methoxy-5-(trifluoromethoxy)phenyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC(=C(C=C2)C(=O)O)C(=O)O

DOS

IR

Vibrations