Geometry & MOs

Info

ID:	404782
PubChem CID:	135070901
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-208.22
Dipole, Da:	2.9
IP(EA), eV:	-9.55(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]phenyl]ethanone

Drug info:

PubChemData

Smile

C[C@H]([C@@H]([C@H](C(=O)O)N)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations