Geometry & MOs

Info

ID:	65542
PubChem CID:	46386604
Reduced:	N3O4H21C25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	475.05315
ΔH_f, kcal/mol:	-35.86
Dipole, Da:	5.14
IP(EA), eV:	-8.44(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-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=CC=C4OC

DOS

IR

Vibrations