Geometry & MOs

Info

ID:	173336
PubChem CID:	75624922
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	286.111756
ΔH_f, kcal/mol:	-11.09
Dipole, Da:	3.79
IP(EA), eV:	-9.2(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-N-[(6-methoxypyridin-3-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CNC(=O)C=CC2=CC=CS2

DOS

IR

Vibrations