Geometry & MOs

Info

ID:	447587
PubChem CID:	135284017
Reduced:	OSN2C11H12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	266.092992
ΔH_f, kcal/mol:	16.96
Dipole, Da:	4.13
IP(EA), eV:	-8.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-(trifluoromethyl)pentane-1,5-diol

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=CC=C2)C3C(CC4=CC=CC=C34)S(=O)(=O)NC5=NC=NS5

DOS

IR

Vibrations