Geometry & MOs

Info

ID:	181490
PubChem CID:	76750784
Reduced:	FON7C22H22 (1)
Stoich.:	ABC7D22E22 (1)
Weight, g/mol:	447.218287
ΔH_f, kcal/mol:	58.49
Dipole, Da:	4.06
IP(EA), eV:	-8.65(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC2=NC(=NC(=C2)C3=C4N=CC=CN4N=C3N)OCC5CC5

DOS

IR

Vibrations