Geometry & MOs

Info

ID:	288118
PubChem CID:	104311733
Reduced:	BrNOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	238.99458
ΔH_f, kcal/mol:	9.22
Dipole, Da:	3.8
IP(EA), eV:	-10.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-3-methylbut-2-en-1-one

Drug info:

PubChemData

Smile

C1CC1CCC(=O)C2=C(C=CC=N2)Br

DOS

IR

Vibrations