Geometry & MOs

Info

ID:	133489
PubChem CID:	51534479
Reduced:	ON3C7H10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	388.096717
ΔH_f, kcal/mol:	24.94
Dipole, Da:	1.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.993593
Charge, e:	1

Chem-info

IUPAC name:

(8-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(methanesulfonamido)benzoate

Drug info:

PubChemData

Smile

C1=CC(=[NH+]C(=C1)N)C/C=N\O

DOS

IR

Vibrations