Geometry & MOs

Info

ID:	216525
PubChem CID:	85086367
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	277.117489
ΔH_f, kcal/mol:	-28.23
Dipole, Da:	7.28
IP(EA), eV:	-10.15(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[3,4-bis(hydroxymethyl)cyclopent-2-en-1-yl]-5H-purin-6-one

Drug info:

PubChemData

Smile

C1CCNC(=O)C(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C1

DOS

IR

Vibrations