Geometry & MOs

Info

ID:	288137
PubChem CID:	104311850
Reduced:	BrNOF2H6C12 (1)
Stoich.:	ABCD2E6F12 (1)
Weight, g/mol:	296.96008
ΔH_f, kcal/mol:	-57.49
Dipole, Da:	4.11
IP(EA), eV:	-10.12(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyridin-2-yl)-(2,6-difluorophenyl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(=O)C2=C(C=CC(=C2)F)F)Br

DOS

IR

Vibrations