Geometry & MOs

Info

ID:	433555
PubChem CID:	135173695
Reduced:	NSO3C25H25 (1)
Stoich.:	ABC3D25E25 (1)
Weight, g/mol:	187.157229
ΔH_f, kcal/mol:	-22.44
Dipole, Da:	3.02
IP(EA), eV:	-8.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-2-[(2-methylpropan-2-yl)oxymethoxymethyl]azetidine

Drug info:

PubChemData

Smile

C1CC(C1)SC2=CC=C(C=C2)COC3=COC(=CC3=O)CN4CC5=CC=CC=C5C4

DOS

IR

Vibrations