Geometry & MOs

Info

ID:	342497
PubChem CID:	127265652
Reduced:	ClON4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	340.226312
ΔH_f, kcal/mol:	40.87
Dipole, Da:	5.86
IP(EA), eV:	-8.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]amino]methyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C3=CCN(CC3)C(=O)C4=CC(=NC(=C4)Cl)N

DOS

IR

Vibrations