Geometry & MOs

Info

ID:	22863
PubChem CID:	599271
Reduced:	O2F3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	400.258915
ΔH_f, kcal/mol:	-292.89
Dipole, Da:	1.39
IP(EA), eV:	-10.67(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentadecyl 3-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations