Geometry & MOs

Info

ID:	227383
PubChem CID:	87561592
Reduced:	OCl2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	343.065446
ΔH_f, kcal/mol:	7.83
Dipole, Da:	4.74
IP(EA), eV:	-9.02(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2-[2-(2,6-dichloropyridin-3-yl)propylamino]-1-(5-fluoropyridin-2-yl)ethanol

Drug info:

PubChemData

Smile

CN(C[C@@H](C1=CC=CC=C1)O)C2=C(N=C(C=C2)Cl)Cl

DOS

IR

Vibrations