Geometry & MOs

Info

ID:	145347
PubChem CID:	53505241
Reduced:	ON5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	341.06009
ΔH_f, kcal/mol:	34.72
Dipole, Da:	8.62
IP(EA), eV:	-8.57(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2=CN1)CN3CCCCCC3

DOS

IR

Vibrations