Geometry & MOs

Info

ID:	225934
PubChem CID:	87246439
Reduced:	ClN3O6H26C31 (1)
Stoich.:	AB3C6D26E31 (1)
Weight, g/mol:	190.037227
ΔH_f, kcal/mol:	-109.81
Dipole, Da:	2.87
IP(EA), eV:	-9.0(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethoxy)-3-fluoro-2,2-bis(fluoromethyl)propane

Drug info:

PubChemData

Smile

C1C(N(CC2=CC=CC=C2N1C(=O)C3=C(C=C(C=C3)C(=O)NOC4=CC=CC=C4C5=CC=CC=C5)Cl)C(=O)O)CO

DOS

IR

Vibrations