Geometry & MOs

Info

ID:	151085
PubChem CID:	53790783
Reduced:	O5C17H34 (1)
Stoich.:	A5B17C34 (1)
Weight, g/mol:	417.156767
ΔH_f, kcal/mol:	-273.67
Dipole, Da:	3.73
IP(EA), eV:	-10.17(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-butylanilino)-6-chloropurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOCC(CO)OC(=O)OC

DOS

IR

Vibrations