Geometry & MOs

Info

ID:	177371
PubChem CID:	76176634
Reduced:	N3O7C20H21 (1)
Stoich.:	A3B7C20D21 (1)
Weight, g/mol:	440.01718
ΔH_f, kcal/mol:	-154.53
Dipole, Da:	8.88
IP(EA), eV:	-10.05(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromophenyl)-hydroxymethylidene]-1-[(4-fluorophenyl)methyl]-4-methyl-2,6-dioxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOCCCN1C(=O)C(=C(C(=C(COC2=CC=C(C=C2)[N+](=O)[O-])O)C1=O)C)C#N

DOS

IR

Vibrations