Geometry & MOs

Info

ID:	216448
PubChem CID:	85086253
Reduced:	NO2H4C7 (2)
Stoich.:	AB2C4D7 (2)
Weight, g/mol:	270.09642
ΔH_f, kcal/mol:	-27.97
Dipole, Da:	8.84
IP(EA), eV:	-10.08(-2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one

Drug info:

PubChemData

Smile

CC1=CC2C(=NC1=O)C(=O)C3=NC(=O)C(=C)C=C3C2=O

DOS

IR

Vibrations