Geometry & MOs

Info

ID:	21186
PubChem CID:	587546
Reduced:	NO5H7C14 (1)
Stoich.:	AB5C7D14 (1)
Weight, g/mol:	269.032422
ΔH_f, kcal/mol:	-19.76
Dipole, Da:	7.16
IP(EA), eV:	-10.29(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-nitrofuran-2-yl)methylidene]indene-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C2=O

DOS

IR

Vibrations