Geometry & MOs

Info

ID:	209967
PubChem CID:	80743599
Reduced:	SO2N4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	281.173942
ΔH_f, kcal/mol:	-16.4
Dipole, Da:	1.87
IP(EA), eV:	-9.33(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-nitro-5-propoxyphenyl)pentane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C1=CN(N=N1)CC(=O)NCCC2=CC=CS2)O

DOS

IR

Vibrations