Geometry & MOs

Info

ID:	341023
PubChem CID:	127263458
Reduced:	BrN3O4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	232.134241
ΔH_f, kcal/mol:	-45.72
Dipole, Da:	4.73
IP(EA), eV:	-9.29(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-4-(methylaminomethyl)pyrrolidin-2-one;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)/C(=N\NC1=C(C=CC(=C1)Br)[N+](=O)[O-])/C

DOS

IR

Vibrations