Geometry & MOs

Info

ID:	165535
PubChem CID:	74562121
Reduced:	O5N6C27H34 (1)
Stoich.:	A5B6C27D34 (1)
Weight, g/mol:	436.187246
ΔH_f, kcal/mol:	-88.7
Dipole, Da:	7.27
IP(EA), eV:	-9.57(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3-ethoxyphenyl)-[1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

COCCN1C(=NN=N1)C(C2CC3CC4C(CC3NC2=O)OCO4)N(CC5=CC=CC=C5)CC6=CC=CO6

DOS

IR

Vibrations