Geometry & MOs

Info

ID:	177370
PubChem CID:	76175990
Reduced:	ClN2O5H19C22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	415.13795
ΔH_f, kcal/mol:	-114.79
Dipole, Da:	10.38
IP(EA), eV:	-9.23(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxypropyl)-5-[1-hydroxy-2-(4-nitrophenoxy)ethylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OCC(=C2C(=C(C(=O)N(C2=O)CC3=CC=CO3)C#N)C)O

DOS

IR

Vibrations