Geometry & MOs

Info

ID:	288130
PubChem CID:	104311796
Reduced:	BrON2H9C12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	208.94763
ΔH_f, kcal/mol:	32.89
Dipole, Da:	2.67
IP(EA), eV:	-10.15(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)prop-2-yn-1-one

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(=O)C2=C(C=CC=N2)Br

DOS

IR

Vibrations