Geometry & MOs

Info

ID:	288149
PubChem CID:	104311952
Reduced:	FNBr2O2H8C13 (1)
Stoich.:	ABC2D2E8F13 (1)
Weight, g/mol:	404.91869
ΔH_f, kcal/mol:	-45.67
Dipole, Da:	4.22
IP(EA), eV:	-9.47(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)-2-naphthalen-1-ylethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)C2=C(C=C(C=N2)Br)Br)F

DOS

IR

Vibrations