Geometry & MOs

Info

ID:	209912
PubChem CID:	80739221
Reduced:	ClON3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	263.08254
ΔH_f, kcal/mol:	40.85
Dipole, Da:	3.11
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(2-propan-2-ylphenoxy)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OC3=CC(=NC(=N3)N)Cl

DOS

IR

Vibrations