Geometry & MOs

Info

ID:	49131
PubChem CID:	11528743
Reduced:	BrO3H7C8 (1)
Stoich.:	AB3C7D8 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-89.77
Dipole, Da:	5.05
IP(EA), eV:	-9.63(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6-trimethoxy-3H-indene-1-carbonitrile

Drug info:

PubChemData

Smile

C1COC(=O)C1C2=C(C=CO2)Br

DOS

IR

Vibrations