Geometry & MOs

Info

ID:	210291
PubChem CID:	80785639
Reduced:	ON7C13H21 (1)
Stoich.:	AB7C13D21 (1)
Weight, g/mol:	285.078327
ΔH_f, kcal/mol:	-10.06
Dipole, Da:	5.25
IP(EA), eV:	-9.1(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(1,1-dioxothiolan-3-yl)-1-N-methyl-5-nitrobenzene-1,3-diamine

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N)C2=NC(=NC(=N2)N3CCCC3)N

DOS

IR

Vibrations