Geometry & MOs

Info

ID:	65507
PubChem CID:	46386569
Reduced:	ClFN3O3H17C24 (1)
Stoich.:	ABC3D3E17F24 (1)
Weight, g/mol:	451.189592
ΔH_f, kcal/mol:	-47.69
Dipole, Da:	4.74
IP(EA), eV:	-9.12(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NC4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations