Geometry & MOs

Info

ID:	375579
PubChem CID:	134214012
Reduced:	ClN3O3F5C20H21 (1)
Stoich.:	AB3C3D5E20F21 (1)
Weight, g/mol:	258.25588
ΔH_f, kcal/mol:	-353.47
Dipole, Da:	8.81
IP(EA), eV:	-8.95(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-hexyldecane-1,2-diol

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=C(C=C(C=N2)[C@H](CO)O)F)F)C(NC3=CC(=C(C=C3)Cl)C(F)(F)F)O

DOS

IR

Vibrations