Geometry & MOs

Info

ID:	252548
PubChem CID:	103112187
Reduced:	BrON5C12H16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	278.149124
ΔH_f, kcal/mol:	14.83
Dipole, Da:	7.16
IP(EA), eV:	-8.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-amino-6-methoxypurin-9-yl)-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C2=C(C=C(C=N2)Br)N=C1N

DOS

IR

Vibrations