Geometry & MOs

Info

ID:	149924
PubChem CID:	53789606
Reduced:	ClON2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	366.110374
ΔH_f, kcal/mol:	28.92
Dipole, Da:	3.68
IP(EA), eV:	-8.33(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyridin-3-yl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-4H-pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)Cl)C#N

DOS

IR

Vibrations