Geometry & MOs

Info

ID:	324801
PubChem CID:	126678373
Reduced:	BrN2O2C20H21 (1)
Stoich.:	AB2C2D20E21 (1)
Weight, g/mol:	369.09396
ΔH_f, kcal/mol:	-30.69
Dipole, Da:	7.65
IP(EA), eV:	-9.2(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4R)-4-(4-bromophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)Br)COC3=CC4=C(CNC4=O)C=C3

DOS

IR

Vibrations