Geometry & MOs

Info

ID:	179790
PubChem CID:	76533015
Reduced:	ON4C16H19 (2)
Stoich.:	AB4C16D19 (2)
Weight, g/mol:	456.219764
ΔH_f, kcal/mol:	39.3
Dipole, Da:	5.2
IP(EA), eV:	-8.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-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

CC1CN(CCN1C)CCOC2=CC3=NC=C(N3C=C2)C(=O)NC4=C5C(=NN(C5=CC=C4)CC6=CC(=CC(=N6)C)C)C

DOS

IR

Vibrations