Geometry & MOs

Info

ID:	323440
PubChem CID:	126674828
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	537.219904
ΔH_f, kcal/mol:	-96.56
Dipole, Da:	3.37
IP(EA), eV:	-9.82(-1.01)
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-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCC(CC1)OC2=NC=CC(=N2)C3=CN=CC=C3

DOS

IR

Vibrations