Geometry & MOs

Info

ID:	197328
PubChem CID:	78952721
Reduced:	BrNOF2H8C14 (1)
Stoich.:	ABCD2E8F14 (1)
Weight, g/mol:	279.219829
ΔH_f, kcal/mol:	-50.64
Dipole, Da:	6.17
IP(EA), eV:	-9.65(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hexoxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCC2=C(C=C(C=C2)F)Br)F)C#N

DOS

IR

Vibrations