Geometry & MOs

Info

ID:	19501
PubChem CID:	565978
Reduced:	ClSN3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	319.090997
ΔH_f, kcal/mol:	50.8
Dipole, Da:	3.15
IP(EA), eV:	-8.57(-0.7)
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)-4-(4-chlorophenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C3=NC(=CS3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations