Geometry & MOs

Info

ID:	142290
PubChem CID:	53011041
Reduced:	ClN3O4H20C25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	489.0688
ΔH_f, kcal/mol:	-37.84
Dipole, Da:	8.3
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=CC(=C2)C3=CC(=NC=N3)OC4=CC=CC=C4OC

DOS

IR

Vibrations