Geometry & MOs

Info

ID:	247722
PubChem CID:	103072979
Reduced:	BrN3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	210.173213
ΔH_f, kcal/mol:	-1.19
Dipole, Da:	4.33
IP(EA), eV:	-9.63(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(methylaminomethyl)prop-2-enyl]-4-propylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C=C1[N+](=O)[O-])CC(=C)CNC2CC2)Br

DOS

IR

Vibrations