Geometry & MOs

Info

ID:	295896
PubChem CID:	117546736
Reduced:	FNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-66.56
Dipole, Da:	1.21
IP(EA), eV:	-9.03(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(2,4-dimethylphenyl)oxetan-3-yl]methyl]piperidine

Drug info:

PubChemData

Smile

C1CC(CNC1)CC2(COC2)C3=CC(=CC=C3)F

DOS

IR

Vibrations