Geometry & MOs

Info

ID:	210539
PubChem CID:	80819284
Reduced:	SO2N5C13H25 (1)
Stoich.:	AB2C5D13E25 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-79.89
Dipole, Da:	5.84
IP(EA), eV:	-8.54(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[2-(dimethylamino)propyl]-5-nitrobenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=NC=N1)NCC(C)(C)NS(=O)(=O)C)C

DOS

IR

Vibrations