Geometry & MOs

Info

ID:	7350
PubChem CID:	72215
Reduced:	O4N5C10H13 (1)
Stoich.:	A4B5C10D13 (1)
Weight, g/mol:	267.096754
ΔH_f, kcal/mol:	-90.7
Dipole, Da:	11.75
IP(EA), eV:	-9.25(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(2R,3R,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1=NC2=C(N1[C@H]3[C@@H]([C@H](O3)CO)CO)NC(=NC2=O)N

DOS

IR

Vibrations