Geometry & MOs

Info

ID:	349474
PubChem CID:	127275261
Reduced:	ClON3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	365.12949
ΔH_f, kcal/mol:	22.56
Dipole, Da:	5.25
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations