Geometry & MOs

Info

ID:	64816
PubChem CID:	29204039
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-77.39
Dipole, Da:	6.57
IP(EA), eV:	-9.33(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations