Geometry & MOs

Info

ID:	247530
PubChem CID:	103072111
Reduced:	BrO2N4C10H13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	79.93
Dipole, Da:	8.03
IP(EA), eV:	-9.51(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(ethylaminomethyl)prop-2-enyl]-7-methylindole-2,3-dione

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CN2C=C(C(=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations