Geometry & MOs

Info

ID:	84728
PubChem CID:	49869471
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	390.160437
ΔH_f, kcal/mol:	56.02
Dipole, Da:	4.27
IP(EA), eV:	-9.81(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-1H-indol-2-yl)-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]methanone

Drug info:

PubChemData

Smile

CN(C1=CN=NC=C1)C(=O)C2=CON=C2C3CC3

DOS

IR

Vibrations