Geometry & MOs

Info

ID:	444682
PubChem CID:	135263256
Reduced:	BrNOH6C9 (1)
Stoich.:	ABCD6E9 (1)
Weight, g/mol:	219.053158
ΔH_f, kcal/mol:	18.57
Dipole, Da:	4.83
IP(EA), eV:	-9.53(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-methyl-2,3-dioxo-1H-indol-5-yl)acetic acid

Drug info:

PubChemData

Smile

C1COC2=C(C=CC(=C21)Br)C#N

DOS

IR

Vibrations