Geometry & MOs

Info

ID:	264886
PubChem CID:	103500878
Reduced:	BrFN3H9C12 (1)
Stoich.:	ABC3D9E12 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	16.55
Dipole, Da:	5.38
IP(EA), eV:	-8.9(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(3-aminoprop-1-ynyl)phenyl]ethyl]-3,4-dimethylpyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)F)C3=CC(=NC=N3)Br

DOS

IR

Vibrations