Geometry & MOs

Info

ID:	49456
PubChem CID:	11533047
Reduced:	F3N3O3C25H30 (1)
Stoich.:	A3B3C3D25E30 (1)
Weight, g/mol:	477.246393
ΔH_f, kcal/mol:	-223.44
Dipole, Da:	5.45
IP(EA), eV:	-8.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-(4-methylphenyl)-5-[(3R)-3-methylpiperazin-1-yl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,3-d]pyrimidin-7-amine

Drug info:

PubChemData

Smile

C[C@H](CC1=CC2=C(C(=C1)C#N)N(CC2)CCCO)NCCOC3=CC=CC=C3OCC(F)(F)F

DOS

IR

Vibrations