Geometry & MOs

Info

ID:	272120
PubChem CID:	103724603
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	311.246044
ΔH_f, kcal/mol:	-95.44
Dipole, Da:	1.21
IP(EA), eV:	-8.58(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2-hydroxycyclooctyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCC(C)OC(=O)C1=C(C(=CC=C1)N)C

DOS

IR

Vibrations