Geometry & MOs

Info

ID:	32678
PubChem CID:	7847111
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-122.41
Dipole, Da:	4.54
IP(EA), eV:	-9.22(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@@H](C)C(=O)N3[C@@H](CCC[C@H]3C)C

DOS

IR

Vibrations