Geometry & MOs

Info

ID:	139015
PubChem CID:	52457726
Reduced:	O3N5C27H31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	406.093164
ΔH_f, kcal/mol:	1.25
Dipole, Da:	8.73
IP(EA), eV:	-9.36(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(4-methoxy-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CCC[C@@H]2C1=NC3=NN=NN3[C@@H]2C4=CC=C(C=C4)OCC5=CC=C(C=C5)C(=O)OC

DOS

IR

Vibrations