Geometry & MOs

Info

ID:	22855
PubChem CID:	599207
Reduced:	O2F3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	358.211965
ΔH_f, kcal/mol:	-275.47
Dipole, Da:	2.17
IP(EA), eV:	-10.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dodecyl 2-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations