Geometry & MOs

Info

ID:	342021
PubChem CID:	127264734
Reduced:	SN2O3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	288.127406
ΔH_f, kcal/mol:	-94.7
Dipole, Da:	6.03
IP(EA), eV:	-8.61(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(oxolan-3-yl)methyl]-3-(4-fluorophenyl)-2-methylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=CC2=C(C=C3CC(OC3=C2)C)OCC)NC1=S

DOS

IR

Vibrations