Geometry & MOs

Info

ID:	257840
PubChem CID:	103148778
Reduced:	ClOF3N3C12H19 (1)
Stoich.:	ABC3D3E12F19 (1)
Weight, g/mol:	371.08201
ΔH_f, kcal/mol:	-183.82
Dipole, Da:	5.07
IP(EA), eV:	-9.35(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(CCOCC(F)(F)F)C1=C(C=NN1C)Cl

DOS

IR

Vibrations