Geometry & MOs

Info

ID:	192642
PubChem CID:	78296014
Reduced:	NOC11H16 (2)
Stoich.:	ABC11D16 (2)
Weight, g/mol:	323.19574
ΔH_f, kcal/mol:	-112.52
Dipole, Da:	6.29
IP(EA), eV:	-9.29(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-methoxyethyl)-3-methyl-8-(4-methylpiperidin-1-yl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCCC(=O)N(CC1CC2CCCC(C2NC1=O)C)CC3=CC=CC=C3

DOS

IR

Vibrations