Geometry & MOs

Info

ID:	211409
PubChem CID:	80945142
Reduced:	ClON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	303.11384
ΔH_f, kcal/mol:	-15.89
Dipole, Da:	4.96
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-cyclopropyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=N1)Cl)NC2=CC=C(C=C2)OC(C)C

DOS

IR

Vibrations