Geometry & MOs

Info

ID:	261072
PubChem CID:	103216310
Reduced:	ClOF3N3C13H21 (1)
Stoich.:	ABC3D3E13F21 (1)
Weight, g/mol:	359.04562
ΔH_f, kcal/mol:	-193.53
Dipole, Da:	4.93
IP(EA), eV:	-9.28(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(2-methoxyethyl)pyrazol-3-yl]-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

Drug info:

PubChemData

Smile

CCCNC(COCC(F)(F)F)C1=C(C=NN1CCC)Cl

DOS

IR

Vibrations