Geometry & MOs

Info

ID:	434023
PubChem CID:	135174176
Reduced:	PO4N6C28H31 (1)
Stoich.:	AB4C6D28E31 (1)
Weight, g/mol:	233.12766
ΔH_f, kcal/mol:	-91.03
Dipole, Da:	7.09
IP(EA), eV:	-8.55(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R)-2-ethoxybut-3-enyl]purin-6-amine

Drug info:

PubChemData

Smile

C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(NCCOCC3=CC=CC4=CC=CC=C43)OC5=CC=CC=C5

DOS

IR

Vibrations