Geometry & MOs

Info

ID:	31166
PubChem CID:	854926
Reduced:	SN3O5C11H15 (1)
Stoich.:	AB3C5D11E15 (1)
Weight, g/mol:	173.107873
ΔH_f, kcal/mol:	-139.95
Dipole, Da:	5.98
IP(EA), eV:	-8.95(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,4,8-trimethylpyrido[1,2-a]pyrimidin-5-ium

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@@H]2C(=NS(=O)(=O)N2)N

DOS

IR

Vibrations