Geometry & MOs

Info

ID:	329596
PubChem CID:	126738823
Reduced:	N2S3F6O6C40H40 (1)
Stoich.:	A2B3C6D6E40F40 (1)
Weight, g/mol:	270.169191
ΔH_f, kcal/mol:	-192.48
Dipole, Da:	65.4
IP(EA), eV:	-8.36(-5.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-(3-azidopropyl)morpholine-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(S1)/C=C/C2=CC3=[N+](CCC4=C3C5=C(CC[N+]6=C5C7=CC=CC=C7C=C6)C(=C4C)C)C=C2.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations