Geometry & MOs

Info

ID:	15082
PubChem CID:	429012
Reduced:	O4N5C11H15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	281.112404
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	2.98
IP(EA), eV:	-9.07(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methoxyoxolan-3-ol

Drug info:

PubChemData

Smile

COC1C(C(C(O1)CO)N2C=NC3=C(N=CN=C32)N)O

DOS

IR

Vibrations