Geometry & MOs

Info

ID:	281225
PubChem CID:	103911530
Reduced:	BrNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	262.063968
ΔH_f, kcal/mol:	-12.98
Dipole, Da:	2.31
IP(EA), eV:	-9.33(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[1-(4-amino-3,5-dichlorophenyl)ethylamino]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](CNC(C1CC1)C2=CC=C(C=C2)Br)O

DOS

IR

Vibrations