Geometry & MOs

Info

ID:	257799
PubChem CID:	103148629
Reduced:	BrOF3N3C13H21 (1)
Stoich.:	ABC3D3E13F21 (1)
Weight, g/mol:	343.05071
ΔH_f, kcal/mol:	-187.66
Dipole, Da:	4.34
IP(EA), eV:	-9.22(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=C(C=N1)Br)C(CCOCC(F)(F)F)NCC

DOS

IR

Vibrations