Geometry & MOs

Info

ID:	249608
PubChem CID:	103090808
Reduced:	ClO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	238.99458
ΔH_f, kcal/mol:	-60.35
Dipole, Da:	4.01
IP(EA), eV:	-9.24(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-bromopyridin-3-yl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

C/C(=C/C1=C(C=CC=C1Cl)OC)/C(=O)C

DOS

IR

Vibrations