Geometry & MOs

Info

ID:	372172
PubChem CID:	131294095
Reduced:	BrNO3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	282.98441
ΔH_f, kcal/mol:	-93.6
Dipole, Da:	4.34
IP(EA), eV:	-8.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-bromo-4-hydroxyindol-1-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)O)Br

DOS

IR

Vibrations