Geometry & MOs

Info

ID:	150952
PubChem CID:	53790649
Reduced:	ClN2O2F3H4C9 (1)
Stoich.:	AB2C2D3E4F9 (1)
Weight, g/mol:	466.167765
ΔH_f, kcal/mol:	-201.4
Dipole, Da:	5.68
IP(EA), eV:	-9.66(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,3-dichloroprop-2-enoxy)-1,3-diethyl-2-[3-(4-propan-2-yloxyphenoxy)propoxy]benzene

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)NC(=O)C(=O)N2C(F)(F)F

DOS

IR

Vibrations