Geometry & MOs

Info

ID:	188594
PubChem CID:	77739977
Reduced:	Cl2N3O5C25H29 (1)
Stoich.:	A2B3C5D25E29 (1)
Weight, g/mol:	314.118591
ΔH_f, kcal/mol:	-154.91
Dipole, Da:	8.67
IP(EA), eV:	-8.81(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[1-(3-chlorophenyl)ethylamino]cyclopentylidene]pyridin-2-one

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2=CC3=C(O2)C=CC=C3OCC(CN4CCC(CC4)C5=CC(=CC=C5)Cl)O.O.Cl

DOS

IR

Vibrations