Geometry & MOs

Info

ID:	381580
PubChem CID:	134972361
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	202.060549
ΔH_f, kcal/mol:	-116.7
Dipole, Da:	2.89
IP(EA), eV:	-9.93(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(trifluoromethyl)-3-oxatricyclo[5.2.1.02,6]deca-4,8-diene

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CCC([C@@H](C1)O)(C)O

DOS

IR

Vibrations