Geometry & MOs

Info

ID:	337362
PubChem CID:	127257047
Reduced:	N2O2F3C15H29 (1)
Stoich.:	A2B2C3D15E29 (1)
Weight, g/mol:	240.133714
ΔH_f, kcal/mol:	-286.56
Dipole, Da:	4.16
IP(EA), eV:	-9.38(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,5-trimethylhexyl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(CCOC(=O)C(F)(F)F)CC(C)(C)C.C1CNCC1N

DOS

IR

Vibrations