Geometry & MOs

Info

ID:	16557
PubChem CID:	472658
Reduced:	O3N5C13H17 (1)
Stoich.:	A3B5C13D17 (1)
Weight, g/mol:	291.133139
ΔH_f, kcal/mol:	-67.88
Dipole, Da:	2.4
IP(EA), eV:	-9.13(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-[(1S)-1-hydroxypropyl]cyclopent-3-ene-1,2-diol

Drug info:

PubChemData

Smile

CC[C@@H](C1=C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C(N=CN=C32)N)O

DOS

IR

Vibrations