Geometry & MOs

Info

ID:	144575
PubChem CID:	53386789
Reduced:	O2N6H16C17 (1)
Stoich.:	A2B6C16D17 (1)
Weight, g/mol:	248.102174
ΔH_f, kcal/mol:	19.69
Dipole, Da:	3.75
IP(EA), eV:	-9.15(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1[C@@H]2CO[C@H](N2C(=O)[C@@H]1N3C=NC4=C(N=CN=C43)N)C5=CC=CC=C5

DOS

IR

Vibrations