Geometry & MOs

Info

ID:	53034
PubChem CID:	14709434
Reduced:	NO3C16H29 (1)
Stoich.:	AB3C16D29 (1)
Weight, g/mol:	297.230394
ΔH_f, kcal/mol:	-185.45
Dipole, Da:	1.97
IP(EA), eV:	-9.57(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)N2CCCC2OC)C(C)C

DOS

IR

Vibrations