Geometry & MOs

Info

ID:	433852
PubChem CID:	135173995
Reduced:	ON6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	460.17715
ΔH_f, kcal/mol:	46.51
Dipole, Da:	2.99
IP(EA), eV:	-8.47(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyl-2-fluoroanilino)-6-amino-7-(1H-indazol-4-yl)-9-propan-2-ylpurin-8-one

Drug info:

PubChemData

Smile

CCN(CCC1CCN1C(=O)CC#N)C2=NC=NC3=C2C=CN3

DOS

IR

Vibrations