Geometry & MOs

Info

ID:	65509
PubChem CID:	46386571
Reduced:	ClN3O3H18C24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	427.153206
ΔH_f, kcal/mol:	-1.8
Dipole, Da:	4.97
IP(EA), eV:	-8.88(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-(4-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations