Geometry & MOs

Info

ID:	132280
PubChem CID:	51336055
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-54.2
Dipole, Da:	2.28
IP(EA), eV:	-9.11(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CC=C1Cl)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations