Geometry & MOs

Info

ID:	26299
PubChem CID:	643863
Reduced:	ClN2O2C5H5 (1)
Stoich.:	AB2C2D5E5 (1)
Weight, g/mol:	174.019605
ΔH_f, kcal/mol:	-54.26
Dipole, Da:	5.3
IP(EA), eV:	-9.98(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-amino-3-chloro-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)/C(=C(\N)/Cl)/C#N

DOS

IR

Vibrations