Geometry & MOs

Info

ID:	205793
PubChem CID:	80158400
Reduced:	SO2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	305.135111
ΔH_f, kcal/mol:	-96.79
Dipole, Da:	3.12
IP(EA), eV:	-8.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-nitro-5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC2=C(S1)CCCCCC2

DOS

IR

Vibrations