Geometry & MOs

Info

ID:	341142
PubChem CID:	127263577
Reduced:	NO2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	247.058691
ΔH_f, kcal/mol:	-234.52
Dipole, Da:	0.86
IP(EA), eV:	-9.34(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R,5S)-5-(trifluoromethyl)piperidine-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)O.CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)N

DOS

IR

Vibrations