Geometry & MOs

Info

ID:	196868
PubChem CID:	78889145
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	300.116173
ΔH_f, kcal/mol:	-37.43
Dipole, Da:	3.49
IP(EA), eV:	-8.43(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-ethoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)/C(=C\C2=CC(=CC=C2)OCC)/C#N

DOS

IR

Vibrations