Geometry & MOs

Info

ID:	374175
PubChem CID:	131324974
Reduced:	BrO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	195.008706
ΔH_f, kcal/mol:	-132.14
Dipole, Da:	1.81
IP(EA), eV:	-9.03(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-(hydroxymethylidene)-1H-indol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(C)C(=O)OC)C)Br)O

DOS

IR

Vibrations