Geometry & MOs

Info

ID:	57503
PubChem CID:	22396111
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	307.128054
ΔH_f, kcal/mol:	-34.77
Dipole, Da:	4.51
IP(EA), eV:	-9.26(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-4-(hydroxymethyl)-6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-1,5-diol

Drug info:

PubChemData

Smile

C1C2=C(C(=CC=C2)C(=O)C(CCCN=C(N)N)N)C(=O)N1

DOS

IR

Vibrations