Geometry & MOs

Info

ID:	139170
PubChem CID:	52485047
Reduced:	ClO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	469.149237
ΔH_f, kcal/mol:	-30.83
Dipole, Da:	3.69
IP(EA), eV:	-8.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=CC=N2)/C(=N/OCC3=CC4=C(C(=C3)Cl)OCCO4)/N

DOS

IR

Vibrations