Geometry & MOs

Info

ID:	190899
PubChem CID:	78072950
Reduced:	ClO3N5C25H26 (1)
Stoich.:	AB3C5D25E26 (1)
Weight, g/mol:	415.25834
ΔH_f, kcal/mol:	-63.76
Dipole, Da:	6.9
IP(EA), eV:	-9.06(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-amino-2-cyclopentyloxypurin-9-yl)-4-(cyclohexylmethyl)-5-methyloxolan-3-ol

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=O)O)C3=C(C1=O)N(C(=N3)N4CCCC(C4)N)CCC5=CC=CC=C5Cl

DOS

IR

Vibrations