Geometry & MOs

Info

ID:	147388
PubChem CID:	53787044
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-34.8
Dipole, Da:	5.01
IP(EA), eV:	-8.79(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-butan-2-yl-5-ethyl-4-methyl-2,6-dinitrobenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN=C(C=C1)N2CCN(CC2)C

DOS

IR

Vibrations