Geometry & MOs

Info

ID:	227382
PubChem CID:	87561588
Reduced:	ON2F3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	296.048318
ΔH_f, kcal/mol:	-147.9
Dipole, Da:	2.41
IP(EA), eV:	-10.49(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[(2,6-dichloropyridin-3-yl)-methylamino]-1-phenylethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C#N)NC(=O)C(F)(F)F

DOS

IR

Vibrations