Geometry & MOs

Info

ID:	200677
PubChem CID:	79426356
Reduced:	O4C13H22 (1)
Stoich.:	A4B13C22 (1)
Weight, g/mol:	226.081679
ΔH_f, kcal/mol:	-199.76
Dipole, Da:	3.13
IP(EA), eV:	-9.94(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3,3-trifluoropropyl)oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1CCCC(C1)C2(CCOCC2)C(=O)O

DOS

IR

Vibrations