Geometry & MOs

Info

ID:	181489
PubChem CID:	76750783
Reduced:	OF2N6H20C22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	419.186987
ΔH_f, kcal/mol:	16.05
Dipole, Da:	5.47
IP(EA), eV:	-8.94(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(cyclopropylmethoxy)-6-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]pyrazolo[1,5-a]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)F)F)NC2=NC(=NC(=C2)C3=C4N=CC=CN4N=C3)OCC5CC5

DOS

IR

Vibrations