Geometry & MOs

Info

ID:	195450
PubChem CID:	78687393
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-107.48
Dipole, Da:	4.33
IP(EA), eV:	-8.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-ethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C=CC2=CC(=C(C=C2)OC)OCC

DOS

IR

Vibrations