Geometry & MOs

Info

ID:	132663
PubChem CID:	51395341
Reduced:	ClSO2F3N5C21H27 (1)
Stoich.:	ABC2D3E5F21G27 (1)
Weight, g/mol:	227.154824
ΔH_f, kcal/mol:	-219.58
Dipole, Da:	2.95
IP(EA), eV:	-9.19(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-3-(4-benzylpiperidin-1-ium-1-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C=CCN1C(=O)C2CCCCC2N3C1=NN=C3SCC(=O)NC4CC(CCC4Cl)C(F)(F)F

DOS

IR

Vibrations