Geometry & MOs

Info

ID:	289293
PubChem CID:	104344103
Reduced:	ClO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	356.98797
ΔH_f, kcal/mol:	-32.03
Dipole, Da:	2.79
IP(EA), eV:	-9.36(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-bromo-4-chlorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCOCC1=NC(=CC(=N1)OC2=CC(=CC=C2)Cl)NC

DOS

IR

Vibrations