Geometry & MOs

Info

ID:	288142
PubChem CID:	104311877
Reduced:	NOBr2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	316.88739
ΔH_f, kcal/mol:	-32.0
Dipole, Da:	2.93
IP(EA), eV:	-10.19(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dibromopyridin-2-yl)pent-4-yn-1-one

Drug info:

PubChemData

Smile

CCCCCCCCC(=O)C1=C(C=C(C=N1)Br)Br

DOS

IR

Vibrations