Geometry & MOs

Info

ID:	260459
PubChem CID:	103192465
Reduced:	SN5C14H27 (1)
Stoich.:	AB5C14D27 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	13.45
Dipole, Da:	4.63
IP(EA), eV:	-8.28(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethyl-1-N-methyl-5-nitrobenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCNC1=CC(=NC(=N1)SC)N(CC)C(C)CN(C)C

DOS

IR

Vibrations