Geometry & MOs

Info

ID:	65551
PubChem CID:	46386614
Reduced:	BrN3O3H18C24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	431.103669
ΔH_f, kcal/mol:	4.3
Dipole, Da:	2.32
IP(EA), eV:	-8.98(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations