Geometry & MOs

Info

ID:	177397
PubChem CID:	76180473
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	408.064363
ΔH_f, kcal/mol:	-122.28
Dipole, Da:	7.54
IP(EA), eV:	-9.84(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-[2-(2,4-dichlorophenoxy)-1-hydroxyethylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCCN1C(=O)C(=C(C(=C(CC(C)C)O)C1=O)C)C#N

DOS

IR

Vibrations