Geometry & MOs

Info

ID:	28738
PubChem CID:	829260
Reduced:	OSN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	305.185175
ΔH_f, kcal/mol:	19.53
Dipole, Da:	1.3
IP(EA), eV:	-8.71(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-8-piperidin-1-yl-7-propylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)C)C(=O)N1N

DOS

IR

Vibrations