Geometry & MOs

Info

ID:	25170
PubChem CID:	620696
Reduced:	NH6C9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	256.089958
ΔH_f, kcal/mol:	101.23
Dipole, Da:	0.82
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)C3=CC4=CC=CC=C4C=N3

DOS

IR

Vibrations