Geometry & MOs

Info

ID:	341443
PubChem CID:	127264136
Reduced:	BN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	354.1591
ΔH_f, kcal/mol:	-124.77
Dipole, Da:	6.19
IP(EA), eV:	-8.52(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[(2-fluoro-5-nitrophenoxy)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CN3C)N=C2

DOS

IR

Vibrations