Geometry & MOs

Info

ID:	320425
PubChem CID:	126660747
Reduced:	PN3C15H28 (1)
Stoich.:	AB3C15D28 (1)
Weight, g/mol:	602.181327
ΔH_f, kcal/mol:	-18.63
Dipole, Da:	2.74
IP(EA), eV:	-7.92(2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-amino-3-[2-fluoro-4-(2,3,5,6-tetrafluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]-N-[(E)-4-(methylamino)-4-oxobut-2-enyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCP(C2(C1)CC2)N3CCC4(CCCN4)CC3

DOS

IR

Vibrations