Geometry & MOs

Info

ID:	65550
PubChem CID:	46386613
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	475.05315
ΔH_f, kcal/mol:	-42.78
Dipole, Da:	3.87
IP(EA), eV:	-9.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=CC(=C4)OC

DOS

IR

Vibrations