Geometry & MOs

Info

ID:	10181
PubChem CID:	98596
Reduced:	N2H6O7C8 (1)
Stoich.:	A2B6C7D8 (1)
Weight, g/mol:	242.017501
ΔH_f, kcal/mol:	-115.64
Dipole, Da:	6.49
IP(EA), eV:	-10.63(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-3,5-dinitrophenyl)acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations