Geometry & MOs

Info

ID:	443275
PubChem CID:	135258365
Reduced:	PN5O5C11H16 (1)
Stoich.:	AB5C5D11E16 (1)
Weight, g/mol:	329.01235
ΔH_f, kcal/mol:	-190.28
Dipole, Da:	3.11
IP(EA), eV:	-9.07(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,5S)-2-(6-amino-8-bromopurin-9-yl)oxane-3,5-diol

Drug info:

PubChemData

Smile

COP(O)OCC1CC(C(O1)N2C=NC3=C(N=CN=C32)N)O

DOS

IR

Vibrations