Geometry & MOs

Info

ID:	1181
PubChem CID:	3919
Reduced:	FN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	220.064806
ΔH_f, kcal/mol:	-66.36
Dipole, Da:	8.51
IP(EA), eV:	-9.78(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluoroanilino)-hydroxymethylidene]-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CC(=O)C(=C(NC1=CC(=CC=C1)F)O)C#N

DOS

IR

Vibrations