Geometry & MOs

Info

ID:	372740
PubChem CID:	131303726
Reduced:	ClN2O2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	285.9953
ΔH_f, kcal/mol:	-32.97
Dipole, Da:	3.91
IP(EA), eV:	-8.99(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-7-bromo-3-(hydroxymethyl)-6-methoxy-1H-indol-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Cl)C(C#N)N)O

DOS

IR

Vibrations