Geometry & MOs

Info

ID:	349469
PubChem CID:	127275256
Reduced:	ClON4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	383.120068
ΔH_f, kcal/mol:	-5.09
Dipole, Da:	2.75
IP(EA), eV:	-8.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCC(CC2)C3C4=C(C=C(C=C4)Cl)NC3=O

DOS

IR

Vibrations