Geometry & MOs

Info

ID:	157060
PubChem CID:	56413187
Reduced:	FN3O4C27H34 (1)
Stoich.:	AB3C4D27E34 (1)
Weight, g/mol:	413.213698
ΔH_f, kcal/mol:	-179.45
Dipole, Da:	3.41
IP(EA), eV:	-8.82(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=CC=CC=C3OCC(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations