Geometry & MOs

Info

ID:	162101
PubChem CID:	57393624
Reduced:	FNO3H12C18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	340.131074
ΔH_f, kcal/mol:	-67.42
Dipole, Da:	8.36
IP(EA), eV:	-8.56(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,4-dimethoxyphenyl)-1-(2-hydroxy-4-prop-2-enoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C(=O)C2=CC=C/C(=C/3\C=CC(=O)C=C3F)/N2

DOS

IR

Vibrations