Geometry & MOs

Info

ID:	184985
PubChem CID:	77236609
Reduced:	ClN3F4H22C25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	483.122193
ΔH_f, kcal/mol:	-141.12
Dipole, Da:	0.88
IP(EA), eV:	-8.11(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(2-chloro-6-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy]-3-(3-hydroxyazetidin-1-yl)-N-pyridin-2-ylpropanamide

Drug info:

PubChemData

Smile

C1CNCC2C1NC3=C2C=C(C=C3C(F)(F)F)N(CC4=C(C=CC=C4Cl)F)C5=CC=CC=C5

DOS

IR

Vibrations