Geometry & MOs

Info

ID:	22856
PubChem CID:	599217
Reduced:	O2F3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	246.086764
ΔH_f, kcal/mol:	-241.02
Dipole, Da:	3.11
IP(EA), eV:	-10.59(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations