Geometry & MOs

Info

ID:	28084
PubChem CID:	825446
Reduced:	N2O4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	239.022784
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	2.84
IP(EA), eV:	-9.02(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(trifluoromethylsulfonyl)aniline

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(=O)NN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations