Geometry & MOs

Info

ID:	218719
PubChem CID:	85089854
Reduced:	N7C31H33 (1)
Stoich.:	A7B31C33 (1)
Weight, g/mol:	498.04179
ΔH_f, kcal/mol:	171.3
Dipole, Da:	7.19
IP(EA), eV:	-8.77(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-amino-1-[(3-chlorophenyl)methyl]purin-1-ium-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide;bromide

Drug info:

PubChemData

Smile

CCCCCC1=NC2=CC(=NC=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5NNNN5)C6=CC=CC=C6

DOS

IR

Vibrations