Geometry & MOs

Info

ID:	444656
PubChem CID:	135263154
Reduced:	IN3O3C10H14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	213.147727
ΔH_f, kcal/mol:	-63.44
Dipole, Da:	4.63
IP(EA), eV:	-9.29(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3,4,5,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-5-ium;acetate

Drug info:

PubChemData

Smile

COC1=NC(=CC(=N1)I)N2CCOC[C@@H]2CO

DOS

IR

Vibrations