Geometry & MOs

Info

ID:	282913
PubChem CID:	103945453
Reduced:	FNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-184.32
Dipole, Da:	5.23
IP(EA), eV:	-9.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCC(C)(CCO)NC(=O)C1=C(C=C(C=C1)O)F

DOS

IR

Vibrations