Geometry & MOs

Info

ID:	341054
PubChem CID:	127263489
Reduced:	NF2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	446.12051
ΔH_f, kcal/mol:	-240.92
Dipole, Da:	0.62
IP(EA), eV:	-10.03(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(6-bromopyridin-2-yl)-phenylmethoxy]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C)(CO)C1=CC(=CC(=C1)F)F

DOS

IR

Vibrations