Geometry & MOs

Info

ID:	249365
PubChem CID:	103088979
Reduced:	SN2C13H30 (1)
Stoich.:	AB2C13D30 (1)
Weight, g/mol:	272.138091
ΔH_f, kcal/mol:	-40.34
Dipole, Da:	3.22
IP(EA), eV:	-8.59(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-methyl-5-methylsulfanyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine

Drug info:

PubChemData

Smile

CCC(C)CN(CC)C(CCCSC)CN

DOS

IR

Vibrations