Geometry & MOs

Info

ID:	298787
PubChem CID:	117656805
Reduced:	O4N6C29H36 (1)
Stoich.:	A4B6C29D36 (1)
Weight, g/mol:	279.09047
ΔH_f, kcal/mol:	-46.31
Dipole, Da:	5.43
IP(EA), eV:	-8.93(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,6-tetramethyl-5-(2,2,2-trifluoroethylsulfinyl)aniline

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)CN2CCCC2)C3=NC(=NC(=C3[N+](=O)[O-])N)C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations