Geometry & MOs

Info

ID:	439604
PubChem CID:	135229382
Reduced:	NC10H17 (1)
Stoich.:	AB10C17 (1)
Weight, g/mol:	325.128255
ΔH_f, kcal/mol:	12.35
Dipole, Da:	1.47
IP(EA), eV:	-8.49(0.84)
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]ethanone

Drug info:

PubChemData

Smile

CC/C=C(/C)\CC(=C)/C=C\N

DOS

IR

Vibrations