Geometry & MOs

Info

ID:	264889
PubChem CID:	103500897
Reduced:	FN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	289.053051
ΔH_f, kcal/mol:	-79.43
Dipole, Da:	6.35
IP(EA), eV:	-9.09(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-7H-purine

Drug info:

PubChemData

Smile

CC1C(C(=O)N(C1=O)C2=CC(=C(C=C2)C#CCN)F)C

DOS

IR

Vibrations