Geometry & MOs

Info

ID:	127026
PubChem CID:	50987875
Reduced:	O3C10H15 (2)
Stoich.:	A3B10C15 (2)
Weight, g/mol:	260.94596
ΔH_f, kcal/mol:	-270.29
Dipole, Da:	5.73
IP(EA), eV:	-9.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,3,4-trichlorophenyl)ethanamine;hydrochloride

Drug info:

PubChemData

Smile

CCCCC[C@@H](C=C[C@H]1[C@@H](C[C@H]2[C@@H]1C(=O)/C(=C/CCCC(=O)O)/O2)O)O

DOS

IR

Vibrations