Geometry & MOs

Info

ID:	134299
PubChem CID:	51675811
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	294.124252
ΔH_f, kcal/mol:	-52.78
Dipole, Da:	2.72
IP(EA), eV:	-9.56(0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-yl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)N[C@@H](N2)C3=CC=CO3

DOS

IR

Vibrations