Geometry & MOs

Info

ID:	257841
PubChem CID:	103148779
Reduced:	BrOF3N3C13H21 (1)
Stoich.:	ABC3D3E13F21 (1)
Weight, g/mol:	357.06636
ΔH_f, kcal/mol:	-180.08
Dipole, Da:	4.63
IP(EA), eV:	-9.43(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-methylpyrazol-3-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)(F)F)C1=C(C=NN1CC)Br

DOS

IR

Vibrations