Geometry & MOs

Info

ID:	323390
PubChem CID:	126674677
Reduced:	F3N4O4C27H33 (1)
Stoich.:	A3B4C4D27E33 (1)
Weight, g/mol:	529.193689
ΔH_f, kcal/mol:	-302.92
Dipole, Da:	3.68
IP(EA), eV:	-9.47(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)NC3CCC(CC3)OCC4=CC=NC=C4

DOS

IR

Vibrations