Geometry & MOs

Info

ID:	323429
PubChem CID:	126674792
Reduced:	F3N3O3C22H26 (1)
Stoich.:	A3B3C3D22E26 (1)
Weight, g/mol:	499.204254
ΔH_f, kcal/mol:	-249.44
Dipole, Da:	8.27
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(F)(F)F)NC(=O)NC2CCC(CC2)COCC3=CN=CC=C3

DOS

IR

Vibrations