Geometry & MOs

Info

ID:	23793
PubChem CID:	606103
Reduced:	NO5H11C12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	249.063722
ΔH_f, kcal/mol:	-96.15
Dipole, Da:	5.55
IP(EA), eV:	-10.41(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[hydroxy-(4-nitrophenyl)methylidene]pentane-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations