Geometry & MOs

Info

ID:	124476
PubChem CID:	50884860
Reduced:	IO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	476.169585
ΔH_f, kcal/mol:	38.45
Dipole, Da:	5.42
IP(EA), eV:	-8.62(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-1-(2-hydroxyethyl)-4-methyl-5-[[5-(3-nitro-4-piperidin-1-ylphenyl)furan-2-yl]methylidene]-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C2=NC3=C(N2)C=C(C=C3)C)I)OCC

DOS

IR

Vibrations