Geometry & MOs

Info

ID:	336581
PubChem CID:	127255588
Reduced:	FO6C20H21 (1)
Stoich.:	AB6C20D21 (1)
Weight, g/mol:	281.014097
ΔH_f, kcal/mol:	-270.74
Dipole, Da:	5.86
IP(EA), eV:	-10.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dichlorophenyl)-3-(dimethylamino)propan-1-one;hydrochloride

Drug info:

PubChemData

Smile

C[C@@](CO)([C@@H]([C@@H](COC(=O)C1=CC=CC=C1)O)OC(=O)C2=CC=CC=C2)F

DOS

IR

Vibrations