Geometry & MOs

Info

ID:	24630
PubChem CID:	611534
Reduced:	N3O5C7H7 (1)
Stoich.:	A3B5C7D7 (1)
Weight, g/mol:	213.03857
ΔH_f, kcal/mol:	-8.58
Dipole, Da:	7.49
IP(EA), eV:	-10.54(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dihydroxyamino)-6-methylimino-2-nitrocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CN=C1C=C(C=C(C1=O)[N+](=O)[O-])N(O)O

DOS

IR

Vibrations