Geometry & MOs

Info

ID:	295882
PubChem CID:	117546425
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	5.42
Dipole, Da:	2.38
IP(EA), eV:	-9.41(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-methylphenyl)oxetan-3-yl]pyrrolidine

Drug info:

PubChemData

Smile

C1CNCC1C2(COC2)C3=CN=CC=C3

DOS

IR

Vibrations