Geometry & MOs

Info

ID:	395231
PubChem CID:	135024972
Reduced:	NO2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	316.985778
ΔH_f, kcal/mol:	87.73
Dipole, Da:	1.61
IP(EA), eV:	-8.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[N+](=C2C=CC=CC=C2)/C(=C/C3=CC=CC=C3)/[O-]

DOS

IR

Vibrations