Geometry & MOs

Info

ID:	59901
PubChem CID:	24902318
Reduced:	BrNOC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	223.137242
ΔH_f, kcal/mol:	-6.52
Dipole, Da:	1.74
IP(EA), eV:	-8.89(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-fluoro-2-methylphenoxy)methyl]piperidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OCC2CNC2

DOS

IR

Vibrations