Geometry & MOs

Info

ID:	310454
PubChem CID:	126580503
Reduced:	O7C27H44 (1)
Stoich.:	A7B27C44 (1)
Weight, g/mol:	466.269239
ΔH_f, kcal/mol:	-299.8
Dipole, Da:	4.5
IP(EA), eV:	-9.14(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-6-[3-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)phenoxy]hexanamide

Drug info:

PubChemData

Smile

CC(=CC[C@@H]1[C@@](O1)(C)C2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)CCCCCCCCC(=O)OC)OC)C

DOS

IR

Vibrations