Geometry & MOs

Info

ID:	277353
PubChem CID:	103828026
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	209.121592
ΔH_f, kcal/mol:	-24.91
Dipole, Da:	2.23
IP(EA), eV:	-8.82(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC1)CNCC2=C(C=CC(=C2)OC)Br

DOS

IR

Vibrations