Geometry & MOs

Info

ID:	22865
PubChem CID:	599276
Reduced:	O2F3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	274.118064
ΔH_f, kcal/mol:	-247.23
Dipole, Da:	4.63
IP(EA), eV:	-10.57(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylpentyl 2-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations