Geometry & MOs

Info

ID:	282264
PubChem CID:	103920447
Reduced:	BrClN4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	283.058691
ΔH_f, kcal/mol:	63.97
Dipole, Da:	5.56
IP(EA), eV:	-9.66(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chloro-3,4-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNCC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations