Geometry & MOs

Info

ID:	27577
PubChem CID:	822255
Reduced:	SN5H13C18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	149.36
Dipole, Da:	11.12
IP(EA), eV:	-8.16(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(diethylamino)-1,3-dimethyl-7-propylpurine-2,6-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N=C3C(=NC(=S)N=C3N2)N)C4=CC=CC=C4

DOS

IR

Vibrations