Geometry & MOs

Info

ID:	144905
PubChem CID:	53429967
Reduced:	NO4H5C6 (2)
Stoich.:	AB4C5D6 (2)
Weight, g/mol:	312.059365
ΔH_f, kcal/mol:	-128.37
Dipole, Da:	4.11
IP(EA), eV:	-10.97(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-2,4-dinitrophenyl)-2-methylpropanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C(C)(C(=O)[O-])C(=O)[O-]

DOS

IR

Vibrations