Geometry & MOs

Info

ID:	134184
PubChem CID:	51659120
Reduced:	OS2N5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	411.263425
ΔH_f, kcal/mol:	21.31
Dipole, Da:	6.09
IP(EA), eV:	-8.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]-1,2,3,6,7,8,9,9a-octahydropyrido[1,2-a]pyrimidin-1-ium-4-one

Drug info:

PubChemData

Smile

CCCC1=NC(=CS1)CSC2=NN=C3N2C4CCCCC4C(=O)N3C

DOS

IR

Vibrations