Geometry & MOs

Info

ID:	368562
PubChem CID:	127329465
Reduced:	N3O3C17H27 (1)
Stoich.:	A3B3C17D27 (1)
Weight, g/mol:	399.136511
ΔH_f, kcal/mol:	-121.02
Dipole, Da:	4.34
IP(EA), eV:	-8.94(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-[4-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)CC3CCOCC3)C

DOS

IR

Vibrations