Geometry & MOs

Info

ID:	288106
PubChem CID:	104311358
Reduced:	BrFNOH9C13 (1)
Stoich.:	ABCDE9F13 (1)
Weight, g/mol:	279.00072
ΔH_f, kcal/mol:	-22.65
Dipole, Da:	3.26
IP(EA), eV:	-9.53(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-2-yl)-2-(1-methylpyrazol-3-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)C2=NC=C(C=C2)Br)F

DOS

IR

Vibrations