Geometry & MOs

Info

ID:	449547
PubChem CID:	135299487
Reduced:	OF3N4C19H35 (1)
Stoich.:	AB3C4D19E35 (1)
Weight, g/mol:	278.172939
ΔH_f, kcal/mol:	-227.92
Dipole, Da:	5.84
IP(EA), eV:	-8.17(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(1,3-dihydroxypropan-2-yloxy)-4-hydroxyoctan-2-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)N1CCN(CC1)CCC(C)(C)N2CCN(CC2)C(=O)C(F)(F)F

DOS

IR

Vibrations