Geometry & MOs

Info

ID:	54564
PubChem CID:	17388908
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-117.45
Dipole, Da:	2.94
IP(EA), eV:	-8.24(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-amino-2-cyano-5-oxo-5-(pyridin-2-ylamino)pent-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)N/N=C/C2=CC(=C(C=C2)OC)OC)OC

DOS

IR

Vibrations