Geometry & MOs

Info

ID:	22858
PubChem CID:	599219
Reduced:	O2F3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	260.102414
ΔH_f, kcal/mol:	-247.33
Dipole, Da:	3.16
IP(EA), eV:	-10.59(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropyl 4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations