Geometry & MOs

Info

ID:	415416
PubChem CID:	135088410
Reduced:	OSN5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	343.153206
ΔH_f, kcal/mol:	1.43
Dipole, Da:	3.55
IP(EA), eV:	-8.68(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxyazetidin-1-yl)-[5-(4-methoxyphenyl)-3-pyrrolidin-1-yl-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCCC1=NC(=CS1)CNC2=NC=CC(=N2)N3CCCC(C3)O

DOS

IR

Vibrations