Geometry & MOs

Info

ID:	282791
PubChem CID:	103939050
Reduced:	NF2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	277.086956
ΔH_f, kcal/mol:	-122.13
Dipole, Da:	0.61
IP(EA), eV:	-9.31(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(2-chloro-5-methylphenoxy)pyridin-2-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)OC2=C(C=C(C=C2)F)F)O

DOS

IR

Vibrations