Geometry & MOs

Info

ID:	10586
PubChem CID:	104952
Reduced:	O3N6C9H16 (1)
Stoich.:	A3B6C9D16 (1)
Weight, g/mol:	256.128388
ΔH_f, kcal/mol:	-74.68
Dipole, Da:	1.21
IP(EA), eV:	-9.2(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R)-2,6-diamino-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-3H-pyrrolo[1,2-c]purine-10,10-diol

Drug info:

PubChemData

Smile

C1CN2C(=N[C@H]([C@H]3C2(C1(O)O)N=C(N3)N)CO)N

DOS

IR

Vibrations