Geometry & MOs

Info

ID:	247492
PubChem CID:	103071865
Reduced:	N2O2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	1.73
Dipole, Da:	6.14
IP(EA), eV:	-9.21(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(ethylaminomethyl)prop-2-enyl]-5-nitroisoindole-1,3-dione

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CN2C3=CC=CC=C3C(=O)C2=O

DOS

IR

Vibrations