Geometry & MOs

Info

ID:	36371
PubChem CID:	8002968
Reduced:	N2F3O3C16H23 (1)
Stoich.:	A2B3C3D16E23 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-290.48
Dipole, Da:	5.41
IP(EA), eV:	-9.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(5-chloro-2-prop-2-enoxyphenyl)methylamino]propan-2-ol

Drug info:

PubChemData

Smile

CCOC(CN[C@H](C)C(=O)NC1=CC=CC(=C1)C(F)(F)F)OCC

DOS

IR

Vibrations