Geometry & MOs

Info

ID:	80460
PubChem CID:	49834577
Reduced:	O2N8C29H38 (1)
Stoich.:	A2B8C29D38 (1)
Weight, g/mol:	534.306687
ΔH_f, kcal/mol:	24.86
Dipole, Da:	8.9
IP(EA), eV:	-8.52(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[2-[2-(methoxymethyl)benzimidazol-1-yl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C1CCN(CC1)CC2=NC3=C(N2C)N=C(N=C3N4CCOCC4)N5C6=CC=CC=C6N=C5C7CC7)O

DOS

IR

Vibrations