Geometry & MOs

Info

ID:	138292
PubChem CID:	52341258
Reduced:	Cl2N2O2C16H23 (1)
Stoich.:	A2B2C2D16E23 (1)
Weight, g/mol:	329.156184
ΔH_f, kcal/mol:	-73.53
Dipole, Da:	6.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.114861
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanimidate

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)Cl)Cl)[NH+](C)CCC(=O)N2CCOCC2

DOS

IR

Vibrations