Geometry & MOs

Info

ID:	397933
PubChem CID:	135031055
Reduced:	N2O6H8C15 (1)
Stoich.:	A2B6C8D15 (1)
Weight, g/mol:	301.014185
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	6.28
IP(EA), eV:	-10.27(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-(2-nitrophenyl)chromen-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)[N+](=O)[O-]

DOS

IR

Vibrations