Geometry & MOs

Info

ID:	22168
PubChem CID:	596144
Reduced:	N2O6H8C15 (1)
Stoich.:	A2B6C8D15 (1)
Weight, g/mol:	312.038236
ΔH_f, kcal/mol:	-18.96
Dipole, Da:	7.68
IP(EA), eV:	-10.0(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dinitrophenyl)chromen-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations