Geometry & MOs

Info

ID:	83627
PubChem CID:	49859276
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	242.09185
ΔH_f, kcal/mol:	-37.1
Dipole, Da:	3.49
IP(EA), eV:	-9.74(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ol

Drug info:

PubChemData

Smile

C[C@@]1(CCC=C2[C@H]1CCCC2=O)C=C

DOS

IR

Vibrations