Geometry & MOs

Info

ID:	177372
PubChem CID:	76177141
Reduced:	BrFN2O3H14C21 (1)
Stoich.:	ABC2D3E14F21 (1)
Weight, g/mol:	406.132885
ΔH_f, kcal/mol:	-79.49
Dipole, Da:	7.04
IP(EA), eV:	-9.75(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)C1=C(C2=CC=C(C=C2)Br)O)CC3=CC=C(C=C3)F)C#N

DOS

IR

Vibrations