Geometry & MOs

Info

ID:	271536
PubChem CID:	103682751
Reduced:	BrN3O3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	282.151433
ΔH_f, kcal/mol:	-20.75
Dipole, Da:	8.08
IP(EA), eV:	-9.56(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]-1-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1CCC(C1=O)NCC2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations