Geometry & MOs

Info

ID:	199049
PubChem CID:	79190590
Reduced:	BrOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	186.06808
ΔH_f, kcal/mol:	-21.38
Dipole, Da:	2.47
IP(EA), eV:	-9.44(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzofuran-2-yl)-2-methylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=CC(=O)CC1=CC=CC=C1Br)C

DOS

IR

Vibrations