Geometry & MOs

Info

ID:	277337
PubChem CID:	103827942
Reduced:	BrN2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	209.121592
ΔH_f, kcal/mol:	-7.84
Dipole, Da:	3.06
IP(EA), eV:	-8.48(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]amino]propan-1-ol

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NCC3=C(C=CC(=C3)OC)Br

DOS

IR

Vibrations