Geometry & MOs

Info

ID:	17365
PubChem CID:	494262
Reduced:	N5O5C11H15 (1)
Stoich.:	A5B5C11D15 (1)
Weight, g/mol:	297.107319
ΔH_f, kcal/mol:	-157.05
Dipole, Da:	12.08
IP(EA), eV:	-9.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CC([C@H]1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C2NC(=NC3=O)N)O)O)O

DOS

IR

Vibrations