Geometry & MOs

Info

ID:	204249
PubChem CID:	79936069
Reduced:	SO2N5C13H23 (1)
Stoich.:	AB2C5D13E23 (1)
Weight, g/mol:	329.123169
ΔH_f, kcal/mol:	-36.79
Dipole, Da:	5.02
IP(EA), eV:	-8.51(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)thiophen-2-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CNCCN1C=C(C=N1)S(=O)(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations