Geometry & MOs

Info

ID:	183834
PubChem CID:	77076694
Reduced:	ON6C11H18 (1)
Stoich.:	AB6C11D18 (1)
Weight, g/mol:	222.122909
ΔH_f, kcal/mol:	15.65
Dipole, Da:	8.65
IP(EA), eV:	-9.49(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-[2-(methylamino)propan-2-yl]-5,9-dihydropurin-6-one

Drug info:

PubChemData

Smile

CC(CCC1=NC2C(=NC(=NC2=O)N)N1)CCN

DOS

IR

Vibrations