Geometry & MOs

Info

ID:	175966
PubChem CID:	75975457
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	333.192666
ΔH_f, kcal/mol:	-12.2
Dipole, Da:	5.73
IP(EA), eV:	-9.11(0.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-diethyl-7-(2-oxo-2-piperidin-1-ylethyl)-4aH-pyrrolo[2,3-d]pyrimidin-7-ium-2,4-dione

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2CC(NN2)C3=CN=CC=C3

DOS

IR

Vibrations