Geometry & MOs

Info

ID:	298255
PubChem CID:	117648150
Reduced:	BrO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	187.099714
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	4.43
IP(EA), eV:	-9.09(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethenyl-2,5-dimethyl-1H-indol-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations