Geometry & MOs

Info

ID:	338573
PubChem CID:	127259584
Reduced:	O4N5C17H23 (1)
Stoich.:	A4B5C17D23 (1)
Weight, g/mol:	361.175004
ΔH_f, kcal/mol:	-113.17
Dipole, Da:	2.5
IP(EA), eV:	-8.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R)-2-[6-(2-bicyclo[2.2.1]heptanylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

C1CC2CC1CC2NC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@H]([C@@H]([C@@H](O5)CO)O)O

DOS

IR

Vibrations