Geometry & MOs

Info

ID:	24502
PubChem CID:	610615
Reduced:	ClOH3C5F6 (1)
Stoich.:	ABC3D5E6 (1)
Weight, g/mol:	227.977661
ΔH_f, kcal/mol:	-361.73
Dipole, Da:	6.34
IP(EA), eV:	-10.94(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3,3,3-trifluoro-1-methoxy-2-(trifluoromethyl)prop-1-ene

Drug info:

PubChemData

Smile

COC(=C(C(F)(F)F)C(F)(F)F)Cl

DOS

IR

Vibrations