Geometry & MOs

Info

ID:	303383
PubChem CID:	124489615
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-82.57
Dipole, Da:	2.72
IP(EA), eV:	-9.13(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-1-[(2S,3R)-2,3-dimethylpiperidin-1-yl]-4-phenylbutan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CN([C@H](CO1)C)C(=O)CC[C@@H](C2=CC=CC=C2)N

DOS

IR

Vibrations