Geometry & MOs

Info

ID:	207848
PubChem CID:	80460603
Reduced:	ClFNOH11C13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	355.0087
ΔH_f, kcal/mol:	-51.09
Dipole, Da:	5.29
IP(EA), eV:	-9.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2,5-diethylpyrazol-3-yl)-1-(6-chloropyridin-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)C(C2=CC(=NC=C2)Cl)O

DOS

IR

Vibrations