Geometry & MOs

Info

ID:	349481
PubChem CID:	127275268
Reduced:	ClO2N3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	365.12949
ΔH_f, kcal/mol:	-92.47
Dipole, Da:	4.42
IP(EA), eV:	-9.04(-0.51)
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]benzonitrile

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CN2CCC(CC2)C3C4=C(C=C(C=C4)Cl)NC3=O

DOS

IR

Vibrations