Geometry & MOs

Info

ID:	249366
PubChem CID:	103088981
Reduced:	N2S2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	257.192569
ΔH_f, kcal/mol:	10.76
Dipole, Da:	2.74
IP(EA), eV:	-8.64(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-5-methylsulfanylpentan-1-amine

Drug info:

PubChemData

Smile

CN(CCC1=CC=CS1)C(CCCSC)CN

DOS

IR

Vibrations