Geometry & MOs

Info

ID:	264888
PubChem CID:	103500896
Reduced:	ClFN2O2H10C14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	274.111756
ΔH_f, kcal/mol:	-4.58
Dipole, Da:	6.39
IP(EA), eV:	-8.81(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)F)C3=C(C(=CC=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations