Geometry & MOs

Info

ID:	337703
PubChem CID:	127258326
Reduced:	ClN3O3C11H12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	281.081871
ΔH_f, kcal/mol:	-25.46
Dipole, Da:	5.04
IP(EA), eV:	-9.15(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-(3-chloro-2-methylphenyl)-2-(ethoxymethylidene)-3-oxobutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)/C(=C(\C)/NO)/N=O

DOS

IR

Vibrations