Geometry & MOs

Info

ID:	140921
PubChem CID:	52784642
Reduced:	N2O3C26H28 (1)
Stoich.:	A2B3C26D28 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-73.6
Dipole, Da:	4.16
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)[C@H](C)NC(=O)C[C@@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations