Geometry & MOs

Info

ID:	341431
PubChem CID:	127264124
Reduced:	NCl2O3H9C14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-14.44
Dipole, Da:	6.98
IP(EA), eV:	-9.74(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-oxo-2-(5-oxo-7,8,9,10-tetrahydro-6H-benzo[8]annulen-6-yl)acetate

Drug info:

PubChemData

Smile

C1C2C(C2(Cl)Cl)C3=C(C4=CC=CC=C41)ON=C3C(=O)O

DOS

IR

Vibrations