Geometry & MOs

Info

ID:	37864
PubChem CID:	8025185
Reduced:	O3N4H16C19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	309.192666
ΔH_f, kcal/mol:	-25.59
Dipole, Da:	5.17
IP(EA), eV:	-9.01(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-5-[2-(4-methylpiperidin-1-ium-1-yl)acetyl]-1-propylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1[C@@H](OC2=CC=CC=C2N1C(=O)C3=CN=CN3C4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations