Geometry & MOs

Info

ID:	191270
PubChem CID:	78123955
Reduced:	N4O10C23H28 (1)
Stoich.:	A4B10C23D28 (1)
Weight, g/mol:	443.172241
ΔH_f, kcal/mol:	-363.17
Dipole, Da:	8.08
IP(EA), eV:	-9.32(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-(diethoxyphosphorylmethoxy)-4-phenylcyclopent-2-en-1-yl]purin-6-amine

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OCC(=O)NCC2=CN(N=N2)C3=CC=CC=C3)O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations