Geometry & MOs

Info

ID:	312917
PubChem CID:	126609901
Reduced:	O2N3F4C15H15 (1)
Stoich.:	A2B3C4D15E15 (1)
Weight, g/mol:	280.203845
ΔH_f, kcal/mol:	-246.58
Dipole, Da:	4.44
IP(EA), eV:	-8.63(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-(2-propylpentoxy)phenoxy]propan-1-ol

Drug info:

PubChemData

Smile

CC(OC(COCC1=NC(=NC=C1N)C2=CC=CC=C2)(F)F)(F)F

DOS

IR

Vibrations