Geometry & MOs

Info

ID:	261069
PubChem CID:	103216234
Reduced:	NOF3C12H20 (1)
Stoich.:	ABC3D12E20 (1)
Weight, g/mol:	373.00559
ΔH_f, kcal/mol:	-191.2
Dipole, Da:	2.75
IP(EA), eV:	-8.95(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-chlorophenyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CCC#CC)COCC(F)(F)F

DOS

IR

Vibrations