Geometry & MOs

Info

ID:	48493
PubChem CID:	10587868
Reduced:	BrN2O2H7C10 (1)
Stoich.:	AB2C2D7E10 (1)
Weight, g/mol:	268.109944
ΔH_f, kcal/mol:	-0.24
Dipole, Da:	5.65
IP(EA), eV:	-9.62(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-hydroxy-5-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=C(C(=O)NN=C2)Br

DOS

IR

Vibrations