Geometry & MOs

Info

ID:	179792
PubChem CID:	76533017
Reduced:	FON8C22H27 (1)
Stoich.:	ABC8D22E27 (1)
Weight, g/mol:	438.229186
ΔH_f, kcal/mol:	2.63
Dipole, Da:	3.25
IP(EA), eV:	-9.13(-1.34)
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]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)NC2CCCC(C2)NC3=NC(=NC=C3F)C4=C5C=CC=NC5=NN4

DOS

IR

Vibrations