Geometry & MOs

Info

ID:	180303
PubChem CID:	76612264
Reduced:	ClFN3O5H25C30 (1)
Stoich.:	ABC3D5E25F30 (1)
Weight, g/mol:	139.063329
ΔH_f, kcal/mol:	-151.85
Dipole, Da:	7.4
IP(EA), eV:	-9.03(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=O)N(C=C2)C3=CC(=C(C=C3)NC(=O)C4C(C4C(=O)NC5=CC=C(C=C5)Cl)CO)F

DOS

IR

Vibrations