Geometry & MOs

Info

ID:	316190
PubChem CID:	126630336
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	-26.98
Dipole, Da:	6.58
IP(EA), eV:	-8.63(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-(butylamino)-9-[(4-ethylphenyl)methyl]-7H-purin-8-one

Drug info:

PubChemData

Smile

CCCN(C)C(=O)C1=CC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)N4CCCC4)N=C(C1)N

DOS

IR

Vibrations