Geometry & MOs

Info

ID:	133478
PubChem CID:	51533146
Reduced:	IN2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	402.185138
ΔH_f, kcal/mol:	-107.21
Dipole, Da:	4.39
IP(EA), eV:	-9.04(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methoxy-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]-4-prop-2-enoxybenzamide

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NC3=CC=CC=C3I

DOS

IR

Vibrations