Geometry & MOs

Info

ID:

307990

PubChem CID:

125311164

Reduced:

O4N10C21H22 (1)

Stoich.:

A4B10C21D22 (1)

Weight, g/mol:

478.182549

ΔHf, kcal/mol:

-3.16

Dipole, Da:

5.22

IP(EA), eV:

 -9.13(-2.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R)-2-amino-8-[(1,6-dimethylimidazo[4,5-g]quinoxalin-2-yl)amino]-9-[(2S,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-purin-6-one

Drug info:

PubChemData

Smile

CC1=NC2=CC3=C(C=C2N=C1)N(C(=N3)N[C@@H]4N=C5C(=NC(=NC5=O)N)N4[C@@H]6C[C@@H]([C@H](O6)CO)O)C

DOS

IR

Vibrations