Geometry & MOs

Info

ID:	322749
PubChem CID:	126670980
Reduced:	BrNOC8H10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	255.9823
ΔH_f, kcal/mol:	-34.28
Dipole, Da:	1.78
IP(EA), eV:	-9.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-ethyl-1-(2,2,2-trifluoroethyl)pyrazole

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)Br)CO

DOS

IR

Vibrations