Geometry & MOs

Info

ID:	186624
PubChem CID:	77456427
Reduced:	FO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	430.166585
ΔH_f, kcal/mol:	-151.87
Dipole, Da:	7.47
IP(EA), eV:	-8.33(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]-7H-purin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)F)NC2=CC=CC=N2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations