Geometry & MOs

Info

ID:	257738
PubChem CID:	103148422
Reduced:	BrOF3N3C11H17 (1)
Stoich.:	ABC3D3E11F17 (1)
Weight, g/mol:	357.06636
ΔH_f, kcal/mol:	-174.45
Dipole, Da:	3.33
IP(EA), eV:	-9.26(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-propylpyrazol-3-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)Br)C(CCOCC(F)(F)F)NC

DOS

IR

Vibrations