Geometry & MOs

Info

ID:	62758
PubChem CID:	26736639
Reduced:	FON4C22H24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	426.140686
ΔH_f, kcal/mol:	0.79
Dipole, Da:	2.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.127044
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpiperidin-1-ium-4-yl)-2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1NC(=O)C2=CN=CN2C3=CC=C(C=C3)F)CC4=CC=CC=C4

DOS

IR

Vibrations