Geometry & MOs

Info

ID:	277897
PubChem CID:	103831704
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-92.93
Dipole, Da:	3.91
IP(EA), eV:	-8.66(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N(C)C(C)CC1=CC=CC=C1OC)N

DOS

IR

Vibrations