Geometry & MOs

Info

ID:	247468
PubChem CID:	103071612
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	16.75
Dipole, Da:	3.2
IP(EA), eV:	-8.8(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(propylaminomethyl)prop-2-enyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C(=O)C2=CC=CC=C2C=N1

DOS

IR

Vibrations