Geometry & MOs

Info

ID:	177373
PubChem CID:	76177169
Reduced:	FN2O4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	437.102313
ΔH_f, kcal/mol:	-113.25
Dipole, Da:	12.26
IP(EA), eV:	-9.45(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=C2C(=C(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C#N)C)O

DOS

IR

Vibrations