Geometry & MOs

Info

ID:	194678
PubChem CID:	78574440
Reduced:	BrO3H17C22 (1)
Stoich.:	AB3C17D22 (1)
Weight, g/mol:	334.00047
ΔH_f, kcal/mol:	-25.23
Dipole, Da:	4.61
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Br)C=CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)O

DOS

IR

Vibrations