Geometry & MOs

Info

ID:	295890
PubChem CID:	117546500
Reduced:	BrNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-5.05
Dipole, Da:	4.22
IP(EA), eV:	-8.92(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methoxyphenyl)oxetan-3-yl]piperidine

Drug info:

PubChemData

Smile

C1CCNC(C1)C2(COC2)C3=CC=CC=C3Br

DOS

IR

Vibrations