Geometry & MOs

Info

ID:	89987
PubChem CID:	49965745
Reduced:	N3O3Cl4H19C25 (1)
Stoich.:	A3B3C4D19E25 (1)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	-52.76
Dipole, Da:	7.69
IP(EA), eV:	-9.08(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (8E)-2-amino-8-benzylidene-3-cyano-4-phenyl-5,7-dihydro-4H-pyrano[3,2-c]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1C/C(=C\C2=C(C=CC=C2Cl)Cl)/C3=C(C1)C(C(=C(O3)N)C#N)C4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations