Geometry & MOs

Info

ID:	313322
PubChem CID:	126613811
Reduced:	O2C11H17 (2)
Stoich.:	A2B11C17 (2)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	-186.46
Dipole, Da:	5.32
IP(EA), eV:	-8.11(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,3S,4S)-3-hydroxy-4-[[(1S)-1-phenylethyl]amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

C/C(=C\CCCOC1=CC(=C(C=C1C(C)(C)C)OC)C(C)(C)C)/C(=O)O

DOS

IR

Vibrations