Geometry & MOs

Info

ID:	323320
PubChem CID:	126674154
Reduced:	O2F3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	442.157878
ΔH_f, kcal/mol:	-214.2
Dipole, Da:	1.6
IP(EA), eV:	-10.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3,5-bis(trifluoromethyl)phenyl]-5-(oxan-2-yloxy)pentanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations