Geometry & MOs

Info

ID:

434251

PubChem CID:

135174515

Reduced:

N2C5H8 (2)

Stoich.:

A2B5C8 (2)

Weight, g/mol:

670.10504

ΔHf, kcal/mol:

42.54

Dipole, Da:

5.17

IP(EA), eV:

 -8.53(0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(1R,9S)-19-(6-aminopurin-9-yl)-4,12-dihydroxy-4,12-dioxo-3,5,8,11,13,16,18-heptaoxa-4lambda5,12lambda5-diphosphatetracyclo[13.2.2.16,9.01,14]icosan-7-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=C1N)C(=NC=C)N

DOS

IR

Vibrations