Geometry & MOs

Info

ID:	10006
PubChem CID:	96133
Reduced:	ClO2H5C9 (1)
Stoich.:	AB2C5D9 (1)
Weight, g/mol:	179.997807
ΔH_f, kcal/mol:	-44.59
Dipole, Da:	5.34
IP(EA), eV:	-9.54(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chlorochromen-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=O)O2)Cl

DOS

IR

Vibrations