Geometry & MOs

Info

ID:	128803
PubChem CID:	51058483
Reduced:	N3O7H11C12 (1)
Stoich.:	A3B7C11D12 (1)
Weight, g/mol:	333.096085
ΔH_f, kcal/mol:	-86.04
Dipole, Da:	7.38
IP(EA), eV:	-9.77(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-3,5-dinitrobenzamide;hydrate

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-].O

DOS

IR

Vibrations