Geometry & MOs

Info

ID:	446318
PubChem CID:	135274028
Reduced:	FO2N5H22C27 (1)
Stoich.:	AB2C5D22E27 (1)
Weight, g/mol:	411.20591
ΔH_f, kcal/mol:	22.16
Dipole, Da:	3.76
IP(EA), eV:	-9.13(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[1-(2-hydroxy-2-methylpropyl)indazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC(=CCC1C#N)C2=NC=CN3C2=C(C=N3)C4=CC(=C(C=C4)F)NC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations