Geometry & MOs

Info

ID:	34217
PubChem CID:	7890342
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	280.06147
ΔH_f, kcal/mol:	-161.2
Dipole, Da:	3.36
IP(EA), eV:	-9.62(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(=O)NC(=O)C1=CC=CN1C

DOS

IR

Vibrations