Geometry & MOs

Info

ID:	154882
PubChem CID:	56314427
Reduced:	FN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	322.148141
ΔH_f, kcal/mol:	-142.71
Dipole, Da:	4.19
IP(EA), eV:	-8.66(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1CC(=O)N(C1)C2=CC(=CC=C2)OC)C3=CC=CC=C3F

DOS

IR

Vibrations