Geometry & MOs

Info

ID:	169409
PubChem CID:	75101778
Reduced:	ClF3N3O3C27H33 (1)
Stoich.:	AB3C3D3E27F33 (1)
Weight, g/mol:	574.271069
ΔH_f, kcal/mol:	-263.77
Dipole, Da:	4.8
IP(EA), eV:	-8.71(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(1-benzylpiperidin-4-yl)amino]-1-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CCC1CN(CCC1N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)CC4=C(C=CC(=C4)Cl)O

DOS

IR

Vibrations