Geometry & MOs

Info

ID:	17285
PubChem CID:	491681
Reduced:	O3N5C10H13 (1)
Stoich.:	A3B5C10D13 (1)
Weight, g/mol:	251.101839
ΔH_f, kcal/mol:	-75.91
Dipole, Da:	3.01
IP(EA), eV:	-9.32(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1C[C@H](O[C@H]1CO)N2C=NC3=C2C(=O)N=C(N3)N

DOS

IR

Vibrations