Geometry & MOs

Info

ID:	342222
PubChem CID:	127264999
Reduced:	ClO2N3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	296.152478
ΔH_f, kcal/mol:	-13.03
Dipole, Da:	4.23
IP(EA), eV:	-8.28(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]propyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCNC(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4Cl

DOS

IR

Vibrations