Geometry & MOs

Info

ID:	144904
PubChem CID:	53429966
Reduced:	NO3H5C6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	310.043715
ΔH_f, kcal/mol:	-126.46
Dipole, Da:	5.51
IP(EA), eV:	-10.73(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-(3,5-dimethyl-2,4-dinitrophenyl)-2-methylpropanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations