Geometry & MOs

Info

ID:	19762
PubChem CID:	572099
Reduced:	N5O7H9C13 (1)
Stoich.:	A5B7C9D13 (1)
Weight, g/mol:	347.050198
ΔH_f, kcal/mol:	39.66
Dipole, Da:	5.5
IP(EA), eV:	-10.34(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dihydroxyamino)-N-(6-iminocyclohexa-2,4-dien-1-ylidene)-2,6-dinitrobenzamide

Drug info:

PubChemData

Smile

C1=CC(=N)C(=NC(=O)C2=C(C=C(C=C2[N+](=O)[O-])N(O)O)[N+](=O)[O-])C=C1

DOS

IR

Vibrations