Geometry & MOs

Info

ID:	395233
PubChem CID:	135024981
Reduced:	NCl2O7H9C13 (1)
Stoich.:	AB2C7D9E13 (1)
Weight, g/mol:	308.0007
ΔH_f, kcal/mol:	-172.47
Dipole, Da:	8.11
IP(EA), eV:	-10.54(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-2-[hydroxy(naphthalen-2-yl)methyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)C(C2C(=C(C(=O)O2)Cl)Cl)O)[N+](=O)[O-]

DOS

IR

Vibrations