Geometry & MOs

Info

ID:	61624
PubChem CID:	26711206
Reduced:	FO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-29.68
Dipole, Da:	4.46
IP(EA), eV:	-8.48(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(6-methoxypyridin-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)/C=C/C(=O)NC3=CN=C(C=C3)OC

DOS

IR

Vibrations