Geometry & MOs

Info

ID:	378394
PubChem CID:	134224473
Reduced:	NC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	281.112404
ΔH_f, kcal/mol:	74.39
Dipole, Da:	2.32
IP(EA), eV:	-8.26(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)oxepane-3,4,6-triol

Drug info:

PubChemData

Smile

C/C=C(\C=C/C=C)/C(=C(/C=C)\N)/C=C

DOS

IR

Vibrations