Geometry & MOs

Info

ID:	22857
PubChem CID:	599218
Reduced:	O2F3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	260.102414
ΔH_f, kcal/mol:	-247.9
Dipole, Da:	4.72
IP(EA), eV:	-10.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropyl 3-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations