Geometry & MOs

Info

ID:	374300
PubChem CID:	131326362
Reduced:	NCl2H5O5C8 (1)
Stoich.:	AB2C5D5E8 (1)
Weight, g/mol:	264.954478
ΔH_f, kcal/mol:	-117.67
Dipole, Da:	3.69
IP(EA), eV:	-10.39(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dichloro-2-nitrophenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])Cl)Cl)C(C(=O)O)O

DOS

IR

Vibrations