Geometry & MOs

Info

ID:	209913
PubChem CID:	80739222
Reduced:	ClON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	5.73
Dipole, Da:	3.12
IP(EA), eV:	-9.43(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-butan-2-ylphenoxy)-6-chloropyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OC2=CC(=NC(=N2)N)Cl

DOS

IR

Vibrations