Geometry & MOs

Info

ID:	439775
PubChem CID:	135229595
Reduced:	SN3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	326.159889
ΔH_f, kcal/mol:	24.3
Dipole, Da:	4.07
IP(EA), eV:	-8.45(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylsulfanylpyrrolidin-1-yl)-1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanamine

Drug info:

PubChemData

Smile

CCC1CCN(C1)CC(=C)C2CCN(CC2)C3=NC=CS3

DOS

IR

Vibrations