Geometry & MOs

Info

ID:	20785
PubChem CID:	585674
Reduced:	BrO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	316.00989
ΔH_f, kcal/mol:	-9.38
Dipole, Da:	3.6
IP(EA), eV:	-9.28(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Br

DOS

IR

Vibrations