Geometry & MOs

Info

ID:	23876
PubChem CID:	606980
Reduced:	N2O5H8C9 (1)
Stoich.:	A2B5C8D9 (1)
Weight, g/mol:	224.043321
ΔH_f, kcal/mol:	-22.8
Dipole, Da:	4.99
IP(EA), eV:	-10.99(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dinitrophenyl)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations