Geometry & MOs

Info

ID:	167510
PubChem CID:	74840064
Reduced:	ClFON3C17H17 (1)
Stoich.:	ABCD3E17F17 (1)
Weight, g/mol:	451.210721
ΔH_f, kcal/mol:	-31.16
Dipole, Da:	7.93
IP(EA), eV:	-8.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[4-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazolidin-3-yl]benzoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(NN1)C2=CC(=CC=C2)Cl)NC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations