Geometry & MOs

Info

ID:	373241
PubChem CID:	131312120
Reduced:	NOSC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	261.9967
ΔH_f, kcal/mol:	18.85
Dipole, Da:	4.81
IP(EA), eV:	-8.7(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-2-N,2-N-dimethylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

C1CSCCC1C2=CC(=CC=C2)C(=O)C#N

DOS

IR

Vibrations