Geometry & MOs

Info

ID:	341558
PubChem CID:	127264251
Reduced:	ClNC2H4 (2)
Stoich.:	ABC2D4 (2)
Weight, g/mol:	541.07124
ΔH_f, kcal/mol:	-24.47
Dipole, Da:	4.45
IP(EA), eV:	-10.08(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-dimethylbenzene-6-ide;iodopalladium(1+);tritert-butylphosphanium

Drug info:

PubChemData

Smile

CC1CNC(N1)(Cl)Cl

DOS

IR

Vibrations