Geometry & MOs

Info

ID:	155003
PubChem CID:	56314569
Reduced:	FSN3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	435.15214
ΔH_f, kcal/mol:	-132.51
Dipole, Da:	3.42
IP(EA), eV:	-9.24(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromobenzoyl)-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCCS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCNC2=C(C(=CC=C2)F)C#N

DOS

IR

Vibrations