Geometry & MOs

Info

ID:	85531
PubChem CID:	49876458
Reduced:	ClN2S2O3C20H26 (1)
Stoich.:	AB2C2D3E20F26 (1)
Weight, g/mol:	262.990956
ΔH_f, kcal/mol:	-46.2
Dipole, Da:	4.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.003624
Charge, e:	-1

Chem-info

IUPAC name:

1-(2,6-dichlorophenyl)pyrrolidin-2-imine;chloride

Drug info:

PubChemData

Smile

CN(C)CCOC(=O)CCCCCN1C(=O)/C(=C\C2=CC=CC=C2)/SC1=S.[Cl-]

DOS

IR

Vibrations