Geometry & MOs

Info

ID:	442084
PubChem CID:	135249500
Reduced:	ClON6C26H27 (1)
Stoich.:	ABC6D26E27 (1)
Weight, g/mol:	426.216809
ΔH_f, kcal/mol:	76.73
Dipole, Da:	4.66
IP(EA), eV:	-9.06(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[5-[4-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations