Geometry & MOs

Info

ID:	146802
PubChem CID:	53752855
Reduced:	N2O2H8C11 (1)
Stoich.:	A2B2C8D11 (1)
Weight, g/mol:	257.165388
ΔH_f, kcal/mol:	2.98
Dipole, Da:	2.9
IP(EA), eV:	-9.51(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(cyclohexylmethyl)-2-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C=CN2C#N

DOS

IR

Vibrations