Geometry & MOs

Info

ID:	54881
PubChem CID:	17389473
Reduced:	ON2C18H20 (2)
Stoich.:	AB2C18D20 (2)
Weight, g/mol:	361.029462
ΔH_f, kcal/mol:	-28.43
Dipole, Da:	4.05
IP(EA), eV:	-7.89(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5,7-dinitro-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)imino]-6-oxocyclohexa-1,4-diene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)C(=O)NC1=CC2=C(C=C1)N(C3=CC=CC=C32)CC.CCN1C2=C(C=C(C=C2)NC(=O)C)C3=CC=CC=C31

DOS

IR

Vibrations