Geometry & MOs

Info

ID:	176979
PubChem CID:	76121676
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	459.019245
ΔH_f, kcal/mol:	-56.24
Dipole, Da:	3.39
IP(EA), eV:	-8.21(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxopurin-1-yl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CCCCN1CCC(C(C1)CN2C(=CC=C2O)O)C3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations