Geometry & MOs

Info

ID:	24857
PubChem CID:	613926
Reduced:	NO2H6C8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	296.079707
ΔH_f, kcal/mol:	-65.77
Dipole, Da:	7.48
IP(EA), eV:	-9.87(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-3-[(3,4-dioxonaphthalen-1-yl)amino]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CNC1=CC(=O)C(=O)C2=CC=CC=C21)C#N

DOS

IR

Vibrations