Geometry & MOs

Info

ID:	290246
PubChem CID:	104422037
Reduced:	NC3H6 (4)
Stoich.:	AB3C6 (4)
Weight, g/mol:	222.140199
ΔH_f, kcal/mol:	6.72
Dipole, Da:	3.35
IP(EA), eV:	-8.84(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N'-(2-methyl-2-methylsulfonylpropyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CCNCCCN)C

DOS

IR

Vibrations