Geometry & MOs

Info

ID:	186622
PubChem CID:	77456364
Reduced:	FN9H14C20 (1)
Stoich.:	AB9C14D20 (1)
Weight, g/mol:	394.166585
ΔH_f, kcal/mol:	135.74
Dipole, Da:	2.81
IP(EA), eV:	-9.66(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-fluoro-2-[1-(7H-purin-6-ylamino)ethyl]benzimidazol-1-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC(C1=NC2=C(N1C3=CC=CC=N3)C(=C(C=C2)F)C#N)NC4=NC=NC(=C4C#N)N

DOS

IR

Vibrations