Geometry & MOs

Info

ID:	171320
PubChem CID:	75358985
Reduced:	BrO2N3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	240.095043
ΔH_f, kcal/mol:	-4.39
Dipole, Da:	4.93
IP(EA), eV:	-8.78(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-fluorophenyl)-1-(2-methylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC2(C(=O)NC(=N2)N)C3=CC(=CC=C3)Br

DOS

IR

Vibrations