Geometry & MOs

Info

ID:	349470
PubChem CID:	127275257
Reduced:	ClFON3H19C21 (1)
Stoich.:	ABCD3E19F21 (1)
Weight, g/mol:	383.120068
ΔH_f, kcal/mol:	-23.53
Dipole, Da:	5.33
IP(EA), eV:	-9.24(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)piperidin-1-yl]methyl]-4-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C2C3=C(C=C(C=C3)Cl)NC2=O)CC4=C(C=C(C=C4)C#N)F

DOS

IR

Vibrations