Geometry & MOs

Info

ID:	52645
PubChem CID:	12015604
Reduced:	SCo2O6C13H24 (1)
Stoich.:	AB2C6D13E24 (1)
Weight, g/mol:	197.120449
ΔH_f, kcal/mol:	-295.36
Dipole, Da:	37.41
IP(EA), eV:	-8.44(-4.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)aniline

Drug info:

PubChemData

Smile

CC#CSC(C)(C)C.C=O.C=O.C=O.C=O.C=O.C=O.[Co].[Co]

DOS

IR

Vibrations