Geometry & MOs

Info

ID:	1018
PubChem CID:	3674
Reduced:	NO4H17C18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	-96.51
Dipole, Da:	6.14
IP(EA), eV:	-8.5(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4,6-trimethoxyphenyl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)C=C2C3=CC=CC=C3NC2=O)OC

DOS

IR

Vibrations