Geometry & MOs

Info

ID:	349473
PubChem CID:	127275260
Reduced:	ClO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	365.12949
ΔH_f, kcal/mol:	-22.34
Dipole, Da:	1.38
IP(EA), eV:	-9.18(-0.5)
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]benzonitrile

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CN2CCC(CC2)C3C4=C(C=C(C=C4)Cl)NC3=O

DOS

IR

Vibrations