Geometry & MOs

Info

ID:	257752
PubChem CID:	103148459
Reduced:	BrNO2F3C14H19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	357.06636
ΔH_f, kcal/mol:	-232.59
Dipole, Da:	3.62
IP(EA), eV:	-9.06(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2,5-dimethylpyrazol-3-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CNC(CCOCC(F)(F)F)CC1=C(C=CC(=C1)OC)Br

DOS

IR

Vibrations