Geometry & MOs

Info

ID:	169398
PubChem CID:	75100811
Reduced:	ClO2F3N3C23H27 (1)
Stoich.:	AB2C3D3E23F27 (1)
Weight, g/mol:	528.291197
ΔH_f, kcal/mol:	-215.44
Dipole, Da:	3.47
IP(EA), eV:	-9.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(2,6-difluorophenyl)methylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)C1CC(CN1CC2=CC(=CC=C2)Cl)NCC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations