Geometry & MOs

Info

ID:	56873
PubChem CID:	22394595
Reduced:	NO2C8H10 (1)
Stoich.:	AB2C8D10 (1)
Weight, g/mol:	304.951
ΔH_f, kcal/mol:	-28.43
Dipole, Da:	5.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775923
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(5-bromothiophen-2-yl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CN1)CCC(=O)[O-]

DOS

IR

Vibrations