Geometry & MOs

Info

ID:	148640
PubChem CID:	53788308
Reduced:	O3N6H10C12 (1)
Stoich.:	A3B6C10D12 (1)
Weight, g/mol:	448.352575
ΔH_f, kcal/mol:	98.57
Dipole, Da:	3.91
IP(EA), eV:	-9.18(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[11-(6-aminohexylamino)undecyl]-3,7-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=NC3=C2N=CN(C3=N)O)[N+](=O)[O-]

DOS

IR

Vibrations