Geometry & MOs

Info

ID:	132808
PubChem CID:	51424258
Reduced:	N2O5C23H30 (1)
Stoich.:	A2B5C23D30 (1)
Weight, g/mol:	497.211957
ΔH_f, kcal/mol:	-212.64
Dipole, Da:	8.13
IP(EA), eV:	-9.64(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)OCC(=O)NC1CCCCCCC1)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations