Geometry & MOs

Info

ID:	216997
PubChem CID:	85087093
Reduced:	N3O7C13H13 (1)
Stoich.:	A3B7C13D13 (1)
Weight, g/mol:	323.159354
ΔH_f, kcal/mol:	-15.01
Dipole, Da:	4.95
IP(EA), eV:	-9.65(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2-methylpropylamino)-5H-purin-6-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)C(C=CC2C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])O

DOS

IR

Vibrations