Geometry & MOs

Info

ID:	221113
PubChem CID:	85256863
Reduced:	NO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-146.55
Dipole, Da:	4.52
IP(EA), eV:	-8.4(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclohexane-1,3-diol

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCC2=NOCCC(=O)O)OC

DOS

IR

Vibrations