Geometry & MOs

Info

ID:	48281
PubChem CID:	10538605
Reduced:	ClON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	250.022862
ΔH_f, kcal/mol:	22.31
Dipole, Da:	1.38
IP(EA), eV:	-9.28(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,5R,6R)-5-fluoro-5,6-bis(trifluoromethyl)-7-oxabicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CC1=NN(N=C1CC(=O)C)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations