Geometry & MOs

Info

ID:	368885
PubChem CID:	127330855
Reduced:	OSN5C16H21 (1)
Stoich.:	ABC5D16E21 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	23.88
Dipole, Da:	3.72
IP(EA), eV:	-8.28(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=CS2)CCNC(=O)C3=NNC4=C3CCC4

DOS

IR

Vibrations