Geometry & MOs

Info

ID:	326574
PubChem CID:	126687813
Reduced:	NF3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-71.2
Dipole, Da:	4.31
IP(EA), eV:	-7.9(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(acetamidomethyl)-5-ethyl-2-hydroxyphenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=C(C=C2)C(F)(F)F)CN3C=C4CCC3C4

DOS

IR

Vibrations