Geometry & MOs

Info

ID:	257700
PubChem CID:	103148126
Reduced:	NOF3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	357.06636
ΔH_f, kcal/mol:	-171.63
Dipole, Da:	4.34
IP(EA), eV:	-9.17(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-5-ethyl-2-methylpyrazol-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C21)CC(CCOCC(F)(F)F)N

DOS

IR

Vibrations