Geometry & MOs

Info

ID:	288136
PubChem CID:	104311847
Reduced:	BrClNO2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	296.96008
ΔH_f, kcal/mol:	-22.28
Dipole, Da:	4.64
IP(EA), eV:	-8.91(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyridin-2-yl)-(2,5-difluorophenyl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)CC(=O)C2=C(C=CC=N2)Br

DOS

IR

Vibrations