Geometry & MOs

Info

ID:	155444
PubChem CID:	56365489
Reduced:	SN2O4C28H30 (1)
Stoich.:	AB2C4D28E30 (1)
Weight, g/mol:	478.16349
ΔH_f, kcal/mol:	-92.17
Dipole, Da:	2.44
IP(EA), eV:	-8.66(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-benzoylpiperidin-4-yl)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(S3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations