Geometry & MOs

Info

ID:	149509
PubChem CID:	53789182
Reduced:	BrC2I2F3 (1)
Stoich.:	AB2C2D3 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-103.51
Dipole, Da:	0.51
IP(EA), eV:	-10.42(-2.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-ditert-butyl-4-[(1-methylpyrazol-3-yl)amino]phenyl] acetate

Drug info:

PubChemData

Smile

C(C(F)(Br)I)(F)(F)I

DOS

IR

Vibrations