Geometry & MOs

Info

ID:	163871
PubChem CID:	74380585
Reduced:	OF4N6C26H28 (1)
Stoich.:	AB4C6D26E28 (1)
Weight, g/mol:	356.207307
ΔH_f, kcal/mol:	-154.77
Dipole, Da:	10.36
IP(EA), eV:	-9.14(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-amino-4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1,2,3,4,5,6,7,9-octahydropurin-8-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(CNC(C)(C)C)O)NC2=NC=C(C(=N2)C3=CN=C4N3C=CC=C4C(F)(F)F)F

DOS

IR

Vibrations