Geometry & MOs

Info

ID:	65557
PubChem CID:	46386620
Reduced:	BrN3O3H20C25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	439.189592
ΔH_f, kcal/mol:	0.18
Dipole, Da:	2.77
IP(EA), eV:	-9.19(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)NCC4=CC=C(C=C4)Br

DOS

IR

Vibrations