Geometry & MOs

Info

ID:	49118
PubChem CID:	11528729
Reduced:	O4H10C13 (1)
Stoich.:	A4B10C13 (1)
Weight, g/mol:	230.09185
ΔH_f, kcal/mol:	-72.76
Dipole, Da:	9.04
IP(EA), eV:	-9.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C(=O)O2)C#CCO

DOS

IR

Vibrations