Geometry & MOs

Info

ID:	162236
PubChem CID:	57394019
Reduced:	NO3C7H12 (2)
Stoich.:	AB3C7D12 (2)
Weight, g/mol:	347.114903
ΔH_f, kcal/mol:	-299.91
Dipole, Da:	7.31
IP(EA), eV:	-10.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(3-chlorophenyl)ethylamino]-1,3,7-trimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCCCCCC(C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

DOS

IR

Vibrations