Geometry & MOs

Info

ID:	65549
PubChem CID:	46386611
Reduced:	ClFN3O3H17C24 (1)
Stoich.:	ABC3D3E17F24 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-53.51
Dipole, Da:	5.3
IP(EA), eV:	-9.16(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations