Geometry & MOs

Info

ID:	6469
PubChem CID:	68701
Reduced:	ClO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	366.042564
ΔH_f, kcal/mol:	-132.86
Dipole, Da:	3.5
IP(EA), eV:	-9.42(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,7-dichloro-5-methyl-5H-benzo[d][1,3]benzodioxocine-11-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1OC2=C(C=C(C=C2)Cl)C(C3=C(O1)C=CC(=C3)Cl)C

DOS

IR

Vibrations