Geometry & MOs

Info

ID:	405789
PubChem CID:	135075450
Reduced:	NO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	230.055464
ΔH_f, kcal/mol:	-73.69
Dipole, Da:	3.92
IP(EA), eV:	-9.43(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(trifluoromethyl)phenoxy]but-3-yn-2-ol

Drug info:

PubChemData

Smile

CCN(C(=O)C1=CC=CC=C1O)OC

DOS

IR

Vibrations