Geometry & MOs

Info

ID:	388967
PubChem CID:	134990774
Reduced:	NO5C23H23 (1)
Stoich.:	AB5C23D23 (1)
Weight, g/mol:	310.054949
ΔH_f, kcal/mol:	-85.36
Dipole, Da:	7.32
IP(EA), eV:	-9.49(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-hydroxy-3,5-dinitrophenyl)methyl]-5-methylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCC1(CC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)O1)CCC3=CC=CC=C3

DOS

IR

Vibrations