Geometry & MOs

Info

ID:	80866
PubChem CID:	49846693
Reduced:	N2F3O3H11C15 (1)
Stoich.:	A2B3C3D11E15 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-168.07
Dipole, Da:	7.2
IP(EA), eV:	-9.3(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1-[(4-tert-butylphenyl)methyl]-2-oxopyridin-3-yl]-N-hydroxyprop-2-enamide

Drug info:

PubChemData

Smile

C1=CN(C(=O)C(=C1)/C=C/C(=O)NO)CC2=CC(=C(C(=C2)F)F)F

DOS

IR

Vibrations