Geometry & MOs

Info

ID:	224836
PubChem CID:	85439556
Reduced:	NO2H9C10 (1)
Stoich.:	AB2C9D10 (1)
Weight, g/mol:	282.071451
ΔH_f, kcal/mol:	-23.38
Dipole, Da:	5.75
IP(EA), eV:	-9.49(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)methylidene]-1H-isothiochromen-4-one

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=C(OC(=C)C2=C1)C

DOS

IR

Vibrations