Geometry & MOs

Info

ID:	395772
PubChem CID:	135026487
Reduced:	FON3H12C16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	328.121178
ΔH_f, kcal/mol:	71.05
Dipole, Da:	8.33
IP(EA), eV:	-7.57(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-prop-2-ynylindol-3-yl)ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C/C(=C\1/C=C2C=CC(=CC2=N/C1=C\3/C=CC=CN3)F)/N=O

DOS

IR

Vibrations