Geometry & MOs

Info

ID:	405544
PubChem CID:	135074374
Reduced:	NC18H19 (1)
Stoich.:	AB18C19 (1)
Weight, g/mol:	408.064315
ΔH_f, kcal/mol:	79.42
Dipole, Da:	1.8
IP(EA), eV:	-9.22(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-phenoxy-4-(trifluoromethyl)phenyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCC1(CC2=CC=CC=C21)N=CC3=CC=CC=C3

DOS

IR

Vibrations