Geometry & MOs

Info

ID:	45439
PubChem CID:	10513408
Reduced:	NO2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-154.75
Dipole, Da:	5.43
IP(EA), eV:	-9.69(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-4-(diethylamino)-4-oxobutanoate

Drug info:

PubChemData

Smile

COC1=NC(=O)N2COC(CCC2=C1)CO

DOS

IR

Vibrations