Geometry & MOs

Info

ID:	264262
PubChem CID:	103447288
Reduced:	OF3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	270.03678
ΔH_f, kcal/mol:	-183.94
Dipole, Da:	4.16
IP(EA), eV:	-9.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-ethylpyrazol-3-yl)-2-ethylbut-2-en-1-one

Drug info:

PubChemData

Smile

CC/C(=C/C)/C(=O)CC1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations