Geometry & MOs

Info

ID:	3282
PubChem CID:	9433
Reduced:	O2N5C8H12 (2)
Stoich.:	A2B5C8D12 (2)
Weight, g/mol:	420.198199
ΔH_f, kcal/mol:	-102.65
Dipole, Da:	3.89
IP(EA), eV:	-9.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N

DOS

IR

Vibrations