Geometry & MOs

Info

ID:	22851
PubChem CID:	599182
Reduced:	O2F3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	302.149364
ΔH_f, kcal/mol:	-262.43
Dipole, Da:	3.5
IP(EA), eV:	-10.55(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octan-4-yl 4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CCCCC(CCC)OC(=O)C1=CC=C(C=C1)C(F)(F)F

DOS

IR

Vibrations