Geometry & MOs

Info

ID:	249448
PubChem CID:	103089487
Reduced:	OSN3C12H25 (1)
Stoich.:	ABC3D12E25 (1)
Weight, g/mol:	218.18167
ΔH_f, kcal/mol:	-64.17
Dipole, Da:	4.79
IP(EA), eV:	-8.58(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',2,2-trimethyl-N'-(4-methylsulfanylbutyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CCNC(=O)C1CNCCN1CCCCSC

DOS

IR

Vibrations