Geometry & MOs

Info

ID:	128802
PubChem CID:	51058482
Reduced:	Cl2N3O6H9C13 (1)
Stoich.:	A2B3C6D9E13 (1)
Weight, g/mol:	309.0597
ΔH_f, kcal/mol:	-66.56
Dipole, Da:	3.29
IP(EA), eV:	-9.49(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-3,5-dinitrobenzamide;hydrate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)Cl.O

DOS

IR

Vibrations