Geometry & MOs

Info

ID:	448374
PubChem CID:	135290468
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-18.76
Dipole, Da:	7.79
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-cyanophenyl)-3-[2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)COC2=C(C=CC(=C2)/C=C/C(=O)NC3=CC(=CC=C3)Cl)OC

DOS

IR

Vibrations