Geometry & MOs

Info

ID:	173832
PubChem CID:	75689479
Reduced:	OSBr2N2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	344.233802
ΔH_f, kcal/mol:	-11.11
Dipole, Da:	9.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.995339
Charge, e:	1

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-5-oxo-N-(2-pyrrolidin-1-ium-1-ylpropyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC(=C(S1)Br)Br)[NH+]2CCCC2

DOS

IR

Vibrations