Geometry & MOs

Info

ID:	144902
PubChem CID:	53429964
Reduced:	NSO8C12H13 (1)
Stoich.:	ABC8D12E13 (1)
Weight, g/mol:	276.038236
ΔH_f, kcal/mol:	-245.49
Dipole, Da:	2.81
IP(EA), eV:	-10.86(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

2-(4-cyano-3-methyl-2-nitrophenyl)-2-methylpropanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations