Geometry & MOs

Info

ID:	64766
PubChem CID:	29203969
Reduced:	ClON3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-18.96
Dipole, Da:	5.79
IP(EA), eV:	-9.45(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=C(N(N=C1C)CC2=CC=C(C=C2)C)Cl

DOS

IR

Vibrations