Geometry & MOs

Info

ID:	65506
PubChem CID:	46386568
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	449.094247
ΔH_f, kcal/mol:	-0.87
Dipole, Da:	5.58
IP(EA), eV:	-8.52(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=CC=C4OC

DOS

IR

Vibrations