Geometry & MOs

Info

ID:	369275
PubChem CID:	127332029
Reduced:	FON5C20H24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	379.14514
ΔH_f, kcal/mol:	-10.72
Dipole, Da:	4.96
IP(EA), eV:	-8.61(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N2CCCC(C2=O)N3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations