Geometry & MOs

Info

ID:	387668
PubChem CID:	134986379
Reduced:	OS2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	279.988159
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	2.54
IP(EA), eV:	-8.56(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-(1-amino-2,2-dichloropropylidene)-[(E)-1-chloro-2-methylbut-1-enyl]azanium;chloride

Drug info:

PubChemData

Smile

CCC1(CSC(SC1)C2=COC=C2)CC

DOS

IR

Vibrations