Geometry & MOs

Info

ID:	442078
PubChem CID:	135249364
Reduced:	ON7C25H27 (1)
Stoich.:	AB7C25D27 (1)
Weight, g/mol:	354.148061
ΔH_f, kcal/mol:	97.14
Dipole, Da:	1.97
IP(EA), eV:	-9.1(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(2-oxo-1,3-dihydroindol-6-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(CN1C=C(C=N1)C2=CN=C(C=C2)C3=C4C(=NC=CN4N=C3)C5CCC(CC5)C#N)O

DOS

IR

Vibrations