Geometry & MOs

Info

ID:	402545
PubChem CID:	135056336
Reduced:	NO2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	347.90187
ΔH_f, kcal/mol:	-184.14
Dipole, Da:	3.28
IP(EA), eV:	-8.52(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[amino(methylsulfanyl)methylidene]-(2-chloro-4-methylthiophen-3-yl)azanium;iodide

Drug info:

PubChemData

Smile

CN1CC(N(C(C1)CC(=O)OC)C)CC(=O)OC

DOS

IR

Vibrations