Geometry & MOs

Info

ID:	408466
PubChem CID:	135081232
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	200.081285
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	3.72
IP(EA), eV:	-9.75(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4,4,4-trifluoro-3-methylbut-1-enyl]benzene

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CCC(C1=O)(C)C)O

DOS

IR

Vibrations