Geometry & MOs

Info

ID:	297464
PubChem CID:	117618517
Reduced:	FO3N7C24H24 (1)
Stoich.:	AB3C7D24E24 (1)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	-47.12
Dipole, Da:	5.52
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)NC2=CC(=C(C=C2)F)C3=CN4C=C(C=NC4=N3)N=C(N)OC5CCCC5

DOS

IR

Vibrations