Geometry & MOs

Info

ID:	342357
PubChem CID:	127265180
Reduced:	NO3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	286.07537
ΔH_f, kcal/mol:	-140.27
Dipole, Da:	1.61
IP(EA), eV:	-9.73(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-3-(3-pyridin-4-ylprop-2-enoylamino)benzoic acid

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C=C(C)C1CC1)C(=O)O

DOS

IR

Vibrations