Geometry & MOs

Info

ID:	249621
PubChem CID:	103090917
Reduced:	BrOSC9H9 (1)
Stoich.:	ABCD9E9 (1)
Weight, g/mol:	268.00989
ΔH_f, kcal/mol:	-5.71
Dipole, Da:	2.84
IP(EA), eV:	-9.33(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(5-bromo-2-methoxyphenyl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC(=CC1=CC(=CS1)Br)C(=O)C

DOS

IR

Vibrations