Geometry & MOs

Info

ID:	308667
PubChem CID:	126522363
Reduced:	ON2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	520.202302
ΔH_f, kcal/mol:	-35.49
Dipole, Da:	3.42
IP(EA), eV:	-8.7(2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2E)-2-[5-(5-cyclohexyloxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]-5-fluorophenol

Drug info:

PubChemData

Smile

COCCNC1CCN(CC1)C2CC2

DOS

IR

Vibrations