Geometry & MOs

Info

ID:	234572
PubChem CID:	92298717
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-59.98
Dipole, Da:	4.54
IP(EA), eV:	-9.05(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methylphenyl)ethanone

Drug info:

PubChemData

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C[C@@H]1C[C@@H](CN(C1)C(=O)CC2=CC=C(C=C2)C)C

DOS

IR

Vibrations