Geometry & MOs

Info

ID:	246997
PubChem CID:	103066213
Reduced:	ClNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	256.008961
ΔH_f, kcal/mol:	-69.22
Dipole, Da:	3.59
IP(EA), eV:	-8.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)prop-1-ene

Drug info:

PubChemData

Smile

C=C(COC1=CC2=C(CCC(=O)N2)C=C1)CCl

DOS

IR

Vibrations