Geometry & MOs

Info

ID:	168562
PubChem CID:	74989457
Reduced:	BrON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	381.150044
ΔH_f, kcal/mol:	17.32
Dipole, Da:	6.63
IP(EA), eV:	-9.51(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(3,4-dichlorophenyl)-1-(2-pyrrolidin-1-ium-1-ylcyclohexyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)C(CC2=CN=CN2)N)Br

DOS

IR

Vibrations