Geometry & MOs

Info

ID:	22864
PubChem CID:	599272
Reduced:	O2F3C25H39 (1)
Stoich.:	A2B3C25D39 (1)
Weight, g/mol:	428.290215
ΔH_f, kcal/mol:	-302.08
Dipole, Da:	1.44
IP(EA), eV:	-10.59(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptadecyl 3-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations