Geometry & MOs

Info

ID:	66505
PubChem CID:	46504699
Reduced:	BrNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	359.01571
ΔH_f, kcal/mol:	-16.43
Dipole, Da:	1.83
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-bromo-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C=C\2/C3=C(C=CC(=C3)Br)NC2=O

DOS

IR

Vibrations