Geometry & MOs

Info

ID:	165129
PubChem CID:	74503446
Reduced:	FON4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	379.205539
ΔH_f, kcal/mol:	18.5
Dipole, Da:	5.63
IP(EA), eV:	-8.74(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-3-[1-(thiolan-3-yl)piperidin-1-ium-4-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(CC2C1NNC2C3=CC=CC=C3F)C(=O)C4=NC5=CC=CC=C5C=C4

DOS

IR

Vibrations