Geometry & MOs

Info

ID:	337721
PubChem CID:	127258344
Reduced:	ClNO4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-115.51
Dipole, Da:	10.01
IP(EA), eV:	-8.5(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-(1,3-benzodioxol-5-yl)-2-(ethoxymethylidene)-3-oxobutanamide

Drug info:

PubChemData

Smile

CCO/C=C(\C(=O)C)/C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations