Geometry & MOs

Info

ID:	199047
PubChem CID:	79190588
Reduced:	OCl2H10C11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	237.99933
ΔH_f, kcal/mol:	-22.17
Dipole, Da:	5.08
IP(EA), eV:	-9.36(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-3-methylbut-3-en-2-one

Drug info:

PubChemData

Smile

CC(=C)C(=O)CC1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations