Geometry & MOs

Info

ID:	22882
PubChem CID:	599386
Reduced:	O2F3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	246.086764
ΔH_f, kcal/mol:	-237.22
Dipole, Da:	4.62
IP(EA), eV:	-10.57(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 2-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CC(C)COC(=O)C1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations