Geometry & MOs

Info

ID:	179791
PubChem CID:	76533016
Reduced:	OF2N8C22H26 (1)
Stoich.:	AB2C8D22E26 (1)
Weight, g/mol:	438.229186
ΔH_f, kcal/mol:	-47.89
Dipole, Da:	8.43
IP(EA), eV:	-9.16(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[5-fluoro-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)NC(=O)N2CCC(CC2)F)NC3=NC(=NC=C3F)C4=C5C=CC=NC5=NN4

DOS

IR

Vibrations