Geometry & MOs

Info

ID:	80862
PubChem CID:	49846689
Reduced:	FN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	406.075211
ΔH_f, kcal/mol:	-80.63
Dipole, Da:	6.65
IP(EA), eV:	-9.15(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-[[2,5-bis(trifluoromethyl)phenyl]methyl]-2-oxopyridin-3-yl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=CC=C(C2=O)/C=C/C(=O)NO)F

DOS

IR

Vibrations