Geometry & MOs

Info

ID:	65513
PubChem CID:	46386575
Reduced:	ClN3O4H20C25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	439.189592
ΔH_f, kcal/mol:	-39.97
Dipole, Da:	6.55
IP(EA), eV:	-8.63(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2-methoxyphenoxy)pyrimidin-2-yl]-N-[1-(4-methylphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=CC=C4OC

DOS

IR

Vibrations